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

C28H21N5O4S2 — CID 91132916

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

4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 91132916) has the molecular formula C28H21N5O4S2 and a molecular weight of 555.64 g/mol. Its IUPAC name is 4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 91132916
• Molecular Formula: C28H21N5O4S2
• Molecular Weight: 555.64 g/mol
• Exact Mass: 555.10
• IUPAC Name: 4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2sc(-c3cccnc3)nc2-c2cccc(NC=O)c2)cc1
• InChI: InChI=1S/C28H21N5O4S2/c29-39(36,37)24-9-2-1-8-23(24)18-10-12-21(13-11-18)32-27(35)26-25(19-5-3-7-22(15-19)31-17-34)33-28(38-26)20-6-4-14-30-16-20/h1-17H,(H,31,34)(H,32,35)(H2,29,36,37)
• InChIKey: UNLWRSMMKKVXOP-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 144.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.64
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide (CID 91132916) is 4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2sc(-c3cccnc3)nc2-c2cccc(NC=O)c2)cc1.

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

The InChIKey is UNLWRSMMKKVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O4S2/c29-39(36,37)24-9-2-1-8-23(24)18-10-12-21(13-11-18)32-27(35)26-25(19-5-3-7-22(15-19)31-17-34)33-28(38-26)20-6-4-14-30-16-20/h1-17H,(H,31,34)(H,32,35)(H2,29,36,37).

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

4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 555.64 g/mol, XLogP of 5.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91132916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).