2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid

C24H22N4O6S2 — CID 121457738

IUPAC2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)c3cc(C(=O)N4CCOCC4)ccc23)cc1
InChIInChI=1S/C24H22N4O6S2/c25-36(32,33)18-4-1-15(2-5-18)11-17-13-28(24-26-20(14-35-24)23(30)31)21-12-16(3-6-19(17)21)22(29)27-7-9-34-10-8-27/h1-6,12-14H,7-11H2,(H,30,31)(H2,25,32,33)
InChIKeyWGPGEHCWCAKPEP-UHFFFAOYSA-N
MW526.60 g/mol
LogP2.50
Rot. Bonds6

About 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 121457738) has the molecular formula C24H22N4O6S2 and a molecular weight of 526.60 g/mol. Its IUPAC name is 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID121457738
Molecular FormulaC24H22N4O6S2
Molecular Weight526.60 g/mol
Exact Mass526.10
IUPAC Name2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)c3cc(C(=O)N4CCOCC4)ccc23)cc1
InChIInChI=1S/C24H22N4O6S2/c25-36(32,33)18-4-1-15(2-5-18)11-17-13-28(24-26-20(14-35-24)23(30)31)21-12-16(3-6-19(17)21)22(29)27-7-9-34-10-8-27/h1-6,12-14H,7-11H2,(H,30,31)(H2,25,32,33)
InChIKeyWGPGEHCWCAKPEP-UHFFFAOYSA-N
XLogP2.50
TPSA144.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.60
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-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-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 121457738) is 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid is NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)c3cc(C(=O)N4CCOCC4)ccc23)cc1.
What is the InChIKey of 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WGPGEHCWCAKPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6S2/c25-36(32,33)18-4-1-15(2-5-18)11-17-13-28(24-26-20(14-35-24)23(30)31)21-12-16(3-6-19(17)21)22(29)27-7-9-34-10-8-27/h1-6,12-14H,7-11H2,(H,30,31)(H2,25,32,33).
What are the key properties of 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 526.60 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(morpholine-4-carbonyl)-3-[(4-sulfamoylphenyl)methyl]indol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 121457738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).