N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

C19H13N7OS — CID 176859505

About N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (PubChem CID 176859505) has the molecular formula C19H13N7OS and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
• PubChem CID: 176859505
• Molecular Formula: C19H13N7OS
• Molecular Weight: 387.43 g/mol
• Exact Mass: 387.09
• IUPAC Name: N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
• SMILES: Cc1cccc(-c2nc(NC(=O)c3cncn3-c3ccccn3)sc2C#N)n1
• InChI: InChI=1S/C19H13N7OS/c1-12-5-4-6-13(23-12)17-15(9-20)28-19(24-17)25-18(27)14-10-21-11-26(14)16-7-2-3-8-22-16/h2-8,10-11H,1H3,(H,24,25,27)
• InChIKey: XRXVRHANRHPDQM-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 109.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.43
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The IUPAC name of N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (CID 176859505) is N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The canonical SMILES for N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is Cc1cccc(-c2nc(NC(=O)c3cncn3-c3ccccn3)sc2C#N)n1.

What is the InChIKey of N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The InChIKey is XRXVRHANRHPDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7OS/c1-12-5-4-6-13(23-12)17-15(9-20)28-19(24-17)25-18(27)14-10-21-11-26(14)16-7-2-3-8-22-16/h2-8,10-11H,1H3,(H,24,25,27).

What are the key properties of N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 176859505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).