4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
TL;DR: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 877799-68-3) is a chemical compound with molecular formula C13H13N3O3S2 and molecular weight 323.03983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Also Known As: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide, 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide, 4-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxamide
Technical Specifications
| Molecular Formula | C13H13N3O3S2 |
| Molecular Weight | 323.03983 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.03983 Da |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
| SMILES | CN1C(=C(SC1=S)C(=O)NCC2=CC3=C(C=C2)OCO3)N |
| InChIKey | MFPGVHFLSXVAMM-UHFFFAOYSA-N |
Chemical Property Profile of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Property Insights of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. Following Lipinski's Rule of Five, 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The CAS number of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 877799-68-3.
What is the molecular formula of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular formula of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is C13H13N3O3S2.
What is the molecular weight of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular weight of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 323.03983 g/mol.
Where can I buy 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
You can request a quote for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
Yes, CoreyChem provides custom synthesis services for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.