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

C19H16N6O2S — CID 176858480

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

N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 176858480) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide
• PubChem CID: 176858480
• Molecular Formula: C19H16N6O2S
• Molecular Weight: 392.44 g/mol
• Exact Mass: 392.11
• IUPAC Name: N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide
• SMILES: CCOc1ccc(-c2csc(NC(=O)c3cncn3-c3cccnc3)n2)nc1
• InChI: InChI=1S/C19H16N6O2S/c1-2-27-14-5-6-15(22-9-14)16-11-28-19(23-16)24-18(26)17-10-21-12-25(17)13-4-3-7-20-8-13/h3-12H,2H2,1H3,(H,23,24,26)
• InChIKey: YGDHVYCRBWRBNK-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.44
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide (CID 176858480) is N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide.

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

The canonical SMILES for N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide is CCOc1ccc(-c2csc(NC(=O)c3cncn3-c3cccnc3)n2)nc1.

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

The InChIKey is YGDHVYCRBWRBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-2-27-14-5-6-15(22-9-14)16-11-28-19(23-16)24-18(26)17-10-21-12-25(17)13-4-3-7-20-8-13/h3-12H,2H2,1H3,(H,23,24,26).

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

N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 176858480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).