N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide

C18H15N7OS — CID 176859317

About N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide

N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide (PubChem CID 176859317) has the molecular formula C18H15N7OS and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide
• PubChem CID: 176859317
• Molecular Formula: C18H15N7OS
• Molecular Weight: 377.43 g/mol
• Exact Mass: 377.11
• IUPAC Name: N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide
• SMILES: Cc1ccc(-c2nc(NC(=O)c3cnnn3-c3cccnc3)sc2C)nc1
• InChI: InChI=1S/C18H15N7OS/c1-11-5-6-14(20-8-11)16-12(2)27-18(22-16)23-17(26)15-10-21-24-25(15)13-4-3-7-19-9-13/h3-10H,1-2H3,(H,22,23,26)
• InChIKey: CNHNIDLQGHSXLC-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.43
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide?

The IUPAC name of N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide (CID 176859317) is N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide.

What is the SMILES notation for N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide?

The canonical SMILES for N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide is Cc1ccc(-c2nc(NC(=O)c3cnnn3-c3cccnc3)sc2C)nc1.

What is the InChIKey of N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide?

The InChIKey is CNHNIDLQGHSXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7OS/c1-11-5-6-14(20-8-11)16-12(2)27-18(22-16)23-17(26)15-10-21-24-25(15)13-4-3-7-19-9-13/h3-10H,1-2H3,(H,22,23,26).

What are the key properties of N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide?

N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 176859317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).