2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide

C24H19ClN4O2S — CID 143708772

About 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 143708772) has the molecular formula C24H19ClN4O2S and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 143708772
• Molecular Formula: C24H19ClN4O2S
• Molecular Weight: 462.96 g/mol
• Exact Mass: 462.09
• IUPAC Name: 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide
• SMILES: [H]/N=C(/CC(NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1O)c1cccnc1
• InChI: InChI=1S/C24H19ClN4O2S/c25-17-7-3-5-15(11-17)24-29-21(14-32-24)23(31)28-20(18-8-1-2-9-22(18)30)12-19(26)16-6-4-10-27-13-16/h1-11,13-14,20,26,30H,12H2,(H,28,31)/b26-19-
• InChIKey: ZXGVDZPBUVHCLA-XHPQRKPJSA-N
• XLogP: 5.49
• TPSA: 98.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.96
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide (CID 143708772) is 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide is [H]/N=C(/CC(NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccc1O)c1cccnc1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide?

The InChIKey is ZXGVDZPBUVHCLA-XHPQRKPJSA-N. The full InChI is InChI=1S/C24H19ClN4O2S/c25-17-7-3-5-15(11-17)24-29-21(14-32-24)23(31)28-20(18-8-1-2-9-22(18)30)12-19(26)16-6-4-10-27-13-16/h1-11,13-14,20,26,30H,12H2,(H,28,31)/b26-19-.

What are the key properties of 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide?

2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 462.96 g/mol, XLogP of 5.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143708772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).