N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C15H9ClN6OS2 — CID 31913964

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 31913964) has the molecular formula C15H9ClN6OS2 and a molecular weight of 388.87 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 31913964
• Molecular Formula: C15H9ClN6OS2
• Molecular Weight: 388.87 g/mol
• Exact Mass: 388.00
• IUPAC Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccnc1-n1cncn1
• InChI: InChI=1S/C15H9ClN6OS2/c16-12-4-3-11(25-12)10-6-24-15(20-10)21-14(23)9-2-1-5-18-13(9)22-8-17-7-19-22/h1-8H,(H,20,21,23)
• InChIKey: OANNNZSZAMITCG-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.87
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 31913964) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccnc1-n1cncn1.

What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The InChIKey is OANNNZSZAMITCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN6OS2/c16-12-4-3-11(25-12)10-6-24-15(20-10)21-14(23)9-2-1-5-18-13(9)22-8-17-7-19-22/h1-8H,(H,20,21,23).

What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 388.87 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 31913964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).