4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C21H17N3OS2 — CID 134052697

About 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 134052697) has the molecular formula C21H17N3OS2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 134052697
• Molecular Formula: C21H17N3OS2
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.08
• IUPAC Name: 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2cccs2)sc1C(=O)NC(c1ccccc1)c1ccccn1
• InChI: InChI=1S/C21H17N3OS2/c1-14-19(27-21(23-14)17-11-7-13-26-17)20(25)24-18(15-8-3-2-4-9-15)16-10-5-6-12-22-16/h2-13,18H,1H3,(H,24,25)
• InChIKey: XYCPYKDTLQGRCP-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 134052697) is 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)NC(c1ccccc1)c1ccccn1.

What is the InChIKey of 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is XYCPYKDTLQGRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS2/c1-14-19(27-21(23-14)17-11-7-13-26-17)20(25)24-18(15-8-3-2-4-9-15)16-10-5-6-12-22-16/h2-13,18H,1H3,(H,24,25).

What are the key properties of 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134052697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).