![ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate structure](/static/products/6697/669746-14-9.webp)
ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
TL;DR: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate (CAS 669746-14-9) is a chemical compound with molecular formula C22H20N4O2S2 and molecular weight 436.10278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate
Also Known As: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate, ethyl 2-(benzo[d]thiazol-2-ylamino)-4-((p-tolylthio)methyl)pyrimidine-5-carboxylate, ethyl 2-(benzothiazol-2-ylamino)-4-[(4-methylphenylthio)methyl]pyrimidine-5-ca rboxylate, ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylate, ETHYL 2-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-4-{[(4-METHYLPHENYL)SULFANYL]METHYL}PYRIMIDINE-5-CARBOXYLATE
Technical Specifications
| Molecular Formula | C22H20N4O2S2 |
| Molecular Weight | 436.10278 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.10278 Da |
| Heavy Atoms | 30 |
| Complexity | 561.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1CSC2=CC=C(C=C2)C)NC3=NC4=CC=CC=C4S3 |
| InChIKey | YWNNWLQHVKFZCY-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Property Insights of ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
The XLogP value of 5.5 indicates that ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate is 669746-14-9.
What is the molecular formula of ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate is C22H20N4O2S2.
What is the molecular weight of ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate is 436.10278 g/mol.
Where can I buy ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.