5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid

C8H7N3O5S3 — CID 106379571

IUPAC5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H7N3O5S3/c12-6(13)5-7(18-3-9-5)19(15,16)10-1-4-2-17-8(14)11-4/h2-3,10H,1H2,(H,11,14)(H,12,13)
InChIKeyOMPTWLZVWPFUSE-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.07
Rot. Bonds5

About 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106379571) has the molecular formula C8H7N3O5S3 and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106379571
Molecular FormulaC8H7N3O5S3
Molecular Weight321.36 g/mol
Exact Mass320.95
IUPAC Name5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H7N3O5S3/c12-6(13)5-7(18-3-9-5)19(15,16)10-1-4-2-17-8(14)11-4/h2-3,10H,1H2,(H,11,14)(H,12,13)
InChIKeyOMPTWLZVWPFUSE-UHFFFAOYSA-N
XLogP0.07
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-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

Related Compounds

5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106383569
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109
5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107215379
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391973
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391925
5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 106209029
3-methyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379584
2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 106379581
5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106379599
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392058
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 106379571) is 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1S(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OMPTWLZVWPFUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O5S3/c12-6(13)5-7(18-3-9-5)19(15,16)10-1-4-2-17-8(14)11-4/h2-3,10H,1H2,(H,11,14)(H,12,13).
What are the key properties of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 321.36 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106379571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).