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

C19H14N4O5S2 — CID 121457599

IUPAC2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Oc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H14N4O5S2/c20-30(26,27)14-8-6-13(7-9-14)28-16-10-23(19-21-15(11-29-19)18(24)25)22-17(16)12-4-2-1-3-5-12/h1-11H,(H,24,25)(H2,20,26,27)
InChIKeyMHQJLGSHTNDCGV-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.13
Rot. Bonds6

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

2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 121457599) has the molecular formula C19H14N4O5S2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID121457599
Molecular FormulaC19H14N4O5S2
Molecular Weight442.48 g/mol
Exact Mass442.04
IUPAC Name2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Oc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H14N4O5S2/c20-30(26,27)14-8-6-13(7-9-14)28-16-10-23(19-21-15(11-29-19)18(24)25)22-17(16)12-4-2-1-3-5-12/h1-11H,(H,24,25)(H2,20,26,27)
InChIKeyMHQJLGSHTNDCGV-UHFFFAOYSA-N
XLogP3.13
TPSA137.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[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-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 121457599) is 2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is NS(=O)(=O)c1ccc(Oc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MHQJLGSHTNDCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5S2/c20-30(26,27)14-8-6-13(7-9-14)28-16-10-23(19-21-15(11-29-19)18(24)25)22-17(16)12-4-2-1-3-5-12/h1-11H,(H,24,25)(H2,20,26,27).
What are the key properties of 2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 442.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-4-(4-sulfamoylphenoxy)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 121457599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).