N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide

C11H13N3O2S2 — CID 103413785

IUPACN-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C)s2)c(N)c1
InChIInChI=1S/C11H13N3O2S2/c1-7-3-4-10(9(12)5-7)14-18(15,16)11-6-13-8(2)17-11/h3-6,14H,12H2,1-2H3
InChIKeyRCKOBOKKLCAPCM-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.14
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103413785) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103413785
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C)s2)c(N)c1
InChIInChI=1S/C11H13N3O2S2/c1-7-3-4-10(9(12)5-7)14-18(15,16)11-6-13-8(2)17-11/h3-6,14H,12H2,1-2H3
InChIKeyRCKOBOKKLCAPCM-UHFFFAOYSA-N
XLogP2.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide 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

N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413734
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413868
N-(2-amino-4-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43259125
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413875
N-(2-amino-4,6-difluorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413990
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415554
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 103414697
5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 103415758
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104932565
N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 113368495

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103413785) is N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(C)s2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is RCKOBOKKLCAPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-7-3-4-10(9(12)5-7)14-18(15,16)11-6-13-8(2)17-11/h3-6,14H,12H2,1-2H3.
What are the key properties of N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103413785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).