TL;DR: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (CAS 79420-00-1) is a chemical compound with molecular formula C12H9N3O2S2 and molecular weight 291.0136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide, BAS 01307381, AB00082487-01, 2-benzoxazol-2-ylthio-N-(1,3-thiazol-2-yl)acetamide, 2-(benzo[d]oxazol-2-ylthio)-N-(thiazol-2-yl)acetamide
| Molecular Formula | C12H9N3O2S2 |
| Molecular Weight | 291.0136 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.0136 Da |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC(=O)NC3=NC=CS3 |
| InChIKey | KFLYDNYLTJKOFD-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide 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 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is 79420-00-1.
The molecular formula of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is C12H9N3O2S2.
The molecular weight of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is 291.0136 g/mol.
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