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

C19H14N4O4S2 — CID 121461673

IUPAC2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H14N4O4S2/c20-29(26,27)14-8-6-12(7-9-14)15-10-23(19-21-16(11-28-19)18(24)25)22-17(15)13-4-2-1-3-5-13/h1-11H,(H,24,25)(H2,20,26,27)
InChIKeyCRUZSPRHPAENJW-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.01
Rot. Bonds5

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

2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 121461673) has the molecular formula C19H14N4O4S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID121461673
Molecular FormulaC19H14N4O4S2
Molecular Weight426.48 g/mol
Exact Mass426.05
IUPAC Name2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-c2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H14N4O4S2/c20-29(26,27)14-8-6-12(7-9-14)15-10-23(19-21-16(11-28-19)18(24)25)22-17(15)13-4-2-1-3-5-13/h1-11H,(H,24,25)(H2,20,26,27)
InChIKeyCRUZSPRHPAENJW-UHFFFAOYSA-N
XLogP3.01
TPSA128.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 121461673) is 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is NS(=O)(=O)c1ccc(-c2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CRUZSPRHPAENJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4S2/c20-29(26,27)14-8-6-12(7-9-14)15-10-23(19-21-16(11-28-19)18(24)25)22-17(15)13-4-2-1-3-5-13/h1-11H,(H,24,25)(H2,20,26,27).
What are the key properties of 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 426.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-4-(4-sulfamoylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 121461673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).