TL;DR: N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (CAS 1164474-44-5) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
Also Known As: AB00490160-02, N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide, F1365-1406, N-[(2Z)-6-acetamido-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide, (Z)-N-(6-acetamido-3-allylbenzo[d]thiazol-2(3H)-ylidene)cyclopropanecarboxamide
| Molecular Formula | C16H17N3O2S |
| Molecular Weight | 315.10416 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.10416 Da |
| Heavy Atoms | 22 |
| Complexity | 516.0 |
| SMILES | CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CC3)S2)CC=C |
| InChIKey | WSDSCFYYVQNFLZ-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide. Following Lipinski's Rule of Five, N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is 1164474-44-5.
The molecular formula of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is C16H17N3O2S.
The molecular weight of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is 315.10416 g/mol.
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