4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide

C11H12N4O3S2 — CID 141008632

IUPAC4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCC(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
InChIInChI=1S/C11H12N4O3S2/c1-6(16)9-10(12)15-11(19-9)14-7-2-4-8(5-3-7)20(13,17)18/h2-5H,12H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyMBIFPMPGFZBZGN-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.32
Rot. Bonds4

About 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide

4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 141008632) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID141008632
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCC(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
InChIInChI=1S/C11H12N4O3S2/c1-6(16)9-10(12)15-11(19-9)14-7-2-4-8(5-3-7)20(13,17)18/h2-5H,12H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyMBIFPMPGFZBZGN-UHFFFAOYSA-N
XLogP1.32
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]ethanone
CID 4778814
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 10001591
4-[[4-amino-5-(1,5-dimethylimidazole-4-carbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 18521876
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
4-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 14700316
4-[[4-amino-5-(3-methylthiophene-2-carbonyl)-1,3-thiazol-2-yl]amino]-N-methylbenzenesulfonamide
CID 18521946
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide
CID 13162308
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 79126584
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
[4-amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 46285574
methyl 5-acetyl-2-(4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696803

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 141008632) is 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide is CC(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N.
What is the InChIKey of 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is MBIFPMPGFZBZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-6(16)9-10(12)15-11(19-9)14-7-2-4-8(5-3-7)20(13,17)18/h2-5H,12H2,1H3,(H,14,15)(H2,13,17,18).
What are the key properties of 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide?
4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 312.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 141008632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).