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

C23H17N5O2S2 — CID 52584333

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

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 52584333) has the molecular formula C23H17N5O2S2 and a molecular weight of 459.56 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
• PubChem CID: 52584333
• Molecular Formula: C23H17N5O2S2
• Molecular Weight: 459.56 g/mol
• Exact Mass: 459.08
• IUPAC Name: N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
• SMILES: COc1ccccc1-c1csc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)n1
• InChI: InChI=1S/C23H17N5O2S2/c1-30-18-11-6-5-10-16(18)17-14-32-23(24-17)26-22(29)20-25-21(19-12-7-13-31-19)28(27-20)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,26,29)
• InChIKey: SCUSFSWCZHIXBQ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.56
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 52584333) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

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

The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is COc1ccccc1-c1csc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)n1.

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

The InChIKey is SCUSFSWCZHIXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S2/c1-30-18-11-6-5-10-16(18)17-14-32-23(24-17)26-22(29)20-25-21(19-12-7-13-31-19)28(27-20)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,26,29).

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

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 459.56 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 52584333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).