N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H13N3O3S2 — CID 43593536

IUPACN-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1cccc(N)c1
InChIInChI=1S/C11H13N3O3S2/c1-7-10(18-11(15)14-7)19(16,17)13-6-8-3-2-4-9(12)5-8/h2-5,13H,6,12H2,1H3,(H,14,15)
InChIKeyMJDQELOKGXHKNQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.81
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43593536) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43593536
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1cccc(N)c1
InChIInChI=1S/C11H13N3O3S2/c1-7-10(18-11(15)14-7)19(16,17)13-6-8-3-2-4-9(12)5-8/h2-5,13H,6,12H2,1H3,(H,14,15)
InChIKeyMJDQELOKGXHKNQ-UHFFFAOYSA-N
XLogP0.81
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-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-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63311592
N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716003
N-[[4-(aminomethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 81089930
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724736
N-[(2-bromophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61402198
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444
N-(2-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106265208
4-methyl-N-(2-methyl-2-phenylpropyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60987902
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
CID 43593561

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43593536) is N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MJDQELOKGXHKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-7-10(18-11(15)14-7)19(16,17)13-6-8-3-2-4-9(12)5-8/h2-5,13H,6,12H2,1H3,(H,14,15).
What are the key properties of N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43593536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).