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

C15H11F2N3OS3 — CID 112773085

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

2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 112773085) has the molecular formula C15H11F2N3OS3 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 112773085
• Molecular Formula: C15H11F2N3OS3
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.00
• IUPAC Name: 2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2csc(NC(=O)c3cccnc3SC(F)F)n2)s1
• InChI: InChI=1S/C15H11F2N3OS3/c1-8-4-5-11(23-8)10-7-22-15(19-10)20-12(21)9-3-2-6-18-13(9)24-14(16)17/h2-7,14H,1H3,(H,19,20,21)
• InChIKey: DSOJXTAUCJCPJE-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 112773085) is 2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cccnc3SC(F)F)n2)s1.

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

The InChIKey is DSOJXTAUCJCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS3/c1-8-4-5-11(23-8)10-7-22-15(19-10)20-12(21)9-3-2-6-18-13(9)24-14(16)17/h2-7,14H,1H3,(H,19,20,21).

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

2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 112773085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).