TL;DR: Prop-2-enyl 4-methyl-2-(2-thienylcarbonylamino)-1,3-thiazole-5-carboxylate (CAS 431892-97-6) is a chemical compound with molecular formula C13H12N2O3S2 and molecular weight 308.02893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
Also Known As: BAS 03303197, AB00115789-01, prop-2-enyl 4-methyl-2-(2-thienylcarbonylamino)-1,3-thiazole-5-carboxylate, prop-2-en-1-yl 4-methyl-2-[(thiophen-2-ylcarbonyl)amino]-1,3-thiazole-5-carboxylate, prop-2-enyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
| Molecular Formula | C13H12N2O3S2 |
| Molecular Weight | 308.02893 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.02893 Da |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
| SMILES | CC1=C(SC(=N1)NC(=O)C2=CC=CS2)C(=O)OCC=C |
| InChIKey | WZLLRYGOMWDSJZ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Prop-2-enyl 4-methyl-2-(2-thienylcarbonylamino)-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Prop-2-enyl 4-methyl-2-(2-thienylcarbonylamino)-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Prop-2-enyl 4-methyl-2-(2-thienylcarbonylamino)-1,3-thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Prop-2-enyl 4-methyl-2-(2-thienylcarbonylamino)-1,3-thiazole-5-carboxylate is 431892-97-6.
The molecular formula of Prop-2-enyl 4-methyl-2-(2-thienylcarbonylamino)-1,3-thiazole-5-carboxylate is C13H12N2O3S2.
The molecular weight of Prop-2-enyl 4-methyl-2-(2-thienylcarbonylamino)-1,3-thiazole-5-carboxylate is 308.02893 g/mol.
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