2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

C24H22N4O5S2 — CID 121461661

IUPAC2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Oc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2C2CCCC2)cc1
InChIInChI=1S/C24H22N4O5S2/c25-35(31,32)18-12-10-17(11-13-18)33-22-20(15-6-2-1-3-7-15)27-28(21(22)16-8-4-5-9-16)24-26-19(14-34-24)23(29)30/h1-3,6-7,10-14,16H,4-5,8-9H2,(H,29,30)(H2,25,31,32)
InChIKeyYUJQHJQHUYXDBO-UHFFFAOYSA-N
MW510.60 g/mol
LogP4.79
Rot. Bonds7

About 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 121461661) has the molecular formula C24H22N4O5S2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID121461661
Molecular FormulaC24H22N4O5S2
Molecular Weight510.60 g/mol
Exact Mass510.10
IUPAC Name2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Oc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2C2CCCC2)cc1
InChIInChI=1S/C24H22N4O5S2/c25-35(31,32)18-12-10-17(11-13-18)33-22-20(15-6-2-1-3-7-15)27-28(21(22)16-8-4-5-9-16)24-26-19(14-34-24)23(29)30/h1-3,6-7,10-14,16H,4-5,8-9H2,(H,29,30)(H2,25,31,32)
InChIKeyYUJQHJQHUYXDBO-UHFFFAOYSA-N
XLogP4.79
TPSA137.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 121461661) is 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is NS(=O)(=O)c1ccc(Oc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2C2CCCC2)cc1.
What is the InChIKey of 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is YUJQHJQHUYXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S2/c25-35(31,32)18-12-10-17(11-13-18)33-22-20(15-6-2-1-3-7-15)27-28(21(22)16-8-4-5-9-16)24-26-19(14-34-24)23(29)30/h1-3,6-7,10-14,16H,4-5,8-9H2,(H,29,30)(H2,25,31,32).
What are the key properties of 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 510.60 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopentyl-3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 121461661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).