4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide

C16H16N4O3S3 — CID 18521946

IUPAC4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nc(N)c(C(=O)c3sccc3C)s2)cc1
InChIInChI=1S/C16H16N4O3S3/c1-9-7-8-24-13(9)12(21)14-15(17)20-16(25-14)19-10-3-5-11(6-4-10)26(22,23)18-2/h3-8,18H,17H2,1-2H3,(H,19,20)
InChIKeyVJDQOVBBWJZBQI-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.98
Rot. Bonds6

About 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide

4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 18521946) has the molecular formula C16H16N4O3S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide
PubChem CID18521946
Molecular FormulaC16H16N4O3S3
Molecular Weight408.53 g/mol
Exact Mass408.04
IUPAC Name4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nc(N)c(C(=O)c3sccc3C)s2)cc1
InChIInChI=1S/C16H16N4O3S3/c1-9-7-8-24-13(9)12(21)14-15(17)20-16(25-14)19-10-3-5-11(6-4-10)26(22,23)18-2/h3-8,18H,17H2,1-2H3,(H,19,20)
InChIKeyVJDQOVBBWJZBQI-UHFFFAOYSA-N
XLogP2.98
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide 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

4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 141008632
4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 18521876
[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 46285574
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 10001591
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(2-ethylsulfanylethyl)benzenesulfonamide
CID 10006100
[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 46285896
1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
CID 4778814
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
butyl N-[2-[[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]phenyl]sulfonylamino]ethyl]-N-methylcarbamate
CID 87955305
ethyl 4-[[4-amino-5-(4-bromobenzoyl)-1,3-thiazol-2-yl]amino]benzoate
CID 50761349
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 14700316

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide (CID 18521946) is 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2nc(N)c(C(=O)c3sccc3C)s2)cc1.
What is the InChIKey of 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is VJDQOVBBWJZBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S3/c1-9-7-8-24-13(9)12(21)14-15(17)20-16(25-14)19-10-3-5-11(6-4-10)26(22,23)18-2/h3-8,18H,17H2,1-2H3,(H,19,20).
What are the key properties of 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide?
4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 408.53 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 18521946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).