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

C13H15N3O3S2 — CID 13162308

IUPAC4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide
SMILESCC(=O)c1sc(Nc2ccc(S(N)(=O)=O)c(C)c2)nc1C
InChIInChI=1S/C13H15N3O3S2/c1-7-6-10(4-5-11(7)21(14,18)19)16-13-15-8(2)12(20-13)9(3)17/h4-6H,1-3H3,(H,15,16)(H2,14,18,19)
InChIKeyAHDZQHAGEHVUGE-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.35
Rot. Bonds4

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

4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide (PubChem CID 13162308) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide
PubChem CID13162308
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide
SMILESCC(=O)c1sc(Nc2ccc(S(N)(=O)=O)c(C)c2)nc1C
InChIInChI=1S/C13H15N3O3S2/c1-7-6-10(4-5-11(7)21(14,18)19)16-13-15-8(2)12(20-13)9(3)17/h4-6H,1-3H3,(H,15,16)(H2,14,18,19)
InChIKeyAHDZQHAGEHVUGE-UHFFFAOYSA-N
XLogP2.35
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
1-[2-(3-chloro-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4816637
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
CID 47302553
1-[2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118732493
4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 141008632
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5068079
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
2-(3-bromo-4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 104781919
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65209990

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide (CID 13162308) is 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide is CC(=O)c1sc(Nc2ccc(S(N)(=O)=O)c(C)c2)nc1C.
What is the InChIKey of 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide?
The InChIKey is AHDZQHAGEHVUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-7-6-10(4-5-11(7)21(14,18)19)16-13-15-8(2)12(20-13)9(3)17/h4-6H,1-3H3,(H,15,16)(H2,14,18,19).
What are the key properties of 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide?
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide has a molecular weight of 325.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 13162308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).