1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide

C11H13N3O2S2 — CID 62019955

IUPAC1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1csc(NS(=O)(=O)Cc2ccccc2N)n1
InChIInChI=1S/C11H13N3O2S2/c1-8-6-17-11(13-8)14-18(15,16)7-9-4-2-3-5-10(9)12/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyGSCGBCSOEOSFRL-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.98
Rot. Bonds4

About 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide

1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 62019955) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID62019955
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCc1csc(NS(=O)(=O)Cc2ccccc2N)n1
InChIInChI=1S/C11H13N3O2S2/c1-8-6-17-11(13-8)14-18(15,16)7-9-4-2-3-5-10(9)12/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyGSCGBCSOEOSFRL-UHFFFAOYSA-N
XLogP1.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide 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

Sulfamethylthiazole
CID 68194
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
4-tert-butyl-N-o-tolylthiazol-2-amine
CID 44411322
4-(Toluene-4-sulfonylmethyl)-thiazol-2-ylamine
CID 653276
4-(3-Aminophenyl)-1,3-thiazol-2-amine
CID 236428
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 748055
(4-Methyl-thiazol-2-yl)-p-tolyl-amine
CID 786458
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 892402
N'-(4-aminophenyl)sulfonyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 13949561
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methanesulfonamide
CID 889605
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2118762
4-[(4-Methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 2426551

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide (CID 62019955) is 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide is Cc1csc(NS(=O)(=O)Cc2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is GSCGBCSOEOSFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-8-6-17-11(13-8)14-18(15,16)7-9-4-2-3-5-10(9)12/h2-6H,7,12H2,1H3,(H,13,14).
What are the key properties of 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide?
1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 62019955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).