TL;DR: 3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide (CAS 144605-06-1) is a chemical compound with molecular formula C15H10ClN3OS and molecular weight 315.02332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide, 3-Chloro-N2-(2-pyridylmethylene)-1-benzothiophene-2-carbohydrazide, (E)-3-chloro-N'-(pyridin-2-ylmethylene)benzo[b]thiophene-2-carbohydrazide, 3-chloro-N'-[(pyridin-2-yl)methylidene]-1-benzothiophene-2-carbohydrazide, 3-Chloro-benzo[b]thiophene-2-carboxylic acid [1-pyridin-2-yl-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C15H10ClN3OS |
| Molecular Weight | 315.02332 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.02332 Da |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)N/N=C/C3=CC=CC=N3)Cl |
| InChIKey | HTQZYIIYSDEKEQ-GIJQJNRQSA-N |
The XLogP value of 4.1 indicates that 3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide is 144605-06-1.
The molecular formula of 3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide is C15H10ClN3OS.
The molecular weight of 3-chloro-N-[(E)-pyridin-2-ylmethylideneamino]-1-benzothiophene-2-carboxamide is 315.02332 g/mol.
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