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

C20H17N3OS3 — CID 90546415

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

4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 90546415) has the molecular formula C20H17N3OS3 and a molecular weight of 411.58 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 90546415
• Molecular Formula: C20H17N3OS3
• Molecular Weight: 411.58 g/mol
• Exact Mass: 411.05
• IUPAC Name: 4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccccc2)sc1CNC(=O)c1sc(-c2cccs2)nc1C
• InChI: InChI=1S/C20H17N3OS3/c1-12-16(26-19(22-12)14-7-4-3-5-8-14)11-21-18(24)17-13(2)23-20(27-17)15-9-6-10-25-15/h3-10H,11H2,1-2H3,(H,21,24)
• InChIKey: BTABVPHPZHWRRA-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.58
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 90546415) is 4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1CNC(=O)c1sc(-c2cccs2)nc1C.

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

The InChIKey is BTABVPHPZHWRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS3/c1-12-16(26-19(22-12)14-7-4-3-5-8-14)11-21-18(24)17-13(2)23-20(27-17)15-9-6-10-25-15/h3-10H,11H2,1-2H3,(H,21,24).

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

4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 411.58 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90546415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).