2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid

C18H14N6O4S3 — CID 67671355

IUPAC2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Sc2cc(-c3nn[nH]n3)ccc2S(=O)(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H14N6O4S3/c25-16(26)9-13-10-29-18(19-13)30-14-8-11(17-20-23-24-21-17)6-7-15(14)31(27,28)22-12-4-2-1-3-5-12/h1-8,10,22H,9H2,(H,25,26)(H,20,21,23,24)
InChIKeyXQWLKMVMAULJPU-UHFFFAOYSA-N
MW474.55 g/mol
LogP2.90
Rot. Bonds8

About 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid (PubChem CID 67671355) has the molecular formula C18H14N6O4S3 and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
PubChem CID67671355
Molecular FormulaC18H14N6O4S3
Molecular Weight474.55 g/mol
Exact Mass474.02
IUPAC Name2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Sc2cc(-c3nn[nH]n3)ccc2S(=O)(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H14N6O4S3/c25-16(26)9-13-10-29-18(19-13)30-14-8-11(17-20-23-24-21-17)6-7-15(14)31(27,28)22-12-4-2-1-3-5-12/h1-8,10,22H,9H2,(H,25,26)(H,20,21,23,24)
InChIKeyXQWLKMVMAULJPU-UHFFFAOYSA-N
XLogP2.90
TPSA150.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic 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-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid (CID 67671355) is 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Sc2cc(-c3nn[nH]n3)ccc2S(=O)(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XQWLKMVMAULJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O4S3/c25-16(26)9-13-10-29-18(19-13)30-14-8-11(17-20-23-24-21-17)6-7-15(14)31(27,28)22-12-4-2-1-3-5-12/h1-8,10,22H,9H2,(H,25,26)(H,20,21,23,24).
What are the key properties of 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 474.55 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 67671355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).