N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H15N3O3S2 — CID 60971346

IUPACN-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)c(C)c1N
InChIInChI=1S/C12H15N3O3S2/c1-6-4-5-9(7(2)10(6)13)15-20(17,18)11-8(3)14-12(16)19-11/h4-5,15H,13H2,1-3H3,(H,14,16)
InChIKeyBWIPTRUFDCNQMW-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.74
Rot. Bonds3

About N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60971346) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60971346
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)c(C)c1N
InChIInChI=1S/C12H15N3O3S2/c1-6-4-5-9(7(2)10(6)13)15-20(17,18)11-8(3)14-12(16)19-11/h4-5,15H,13H2,1-3H3,(H,14,16)
InChIKeyBWIPTRUFDCNQMW-UHFFFAOYSA-N
XLogP1.74
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884611
2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 61275975
N-(2-bromophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712767
N-(2,5-dichloro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 104727919
N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085
2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274812
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
CID 60972705
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60985038
N-(3,5-difluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712773
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide
CID 80547490

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60971346) is N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)c(C)c1N.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is BWIPTRUFDCNQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-6-4-5-9(7(2)10(6)13)15-20(17,18)11-8(3)14-12(16)19-11/h4-5,15H,13H2,1-3H3,(H,14,16).
What are the key properties of N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dimethylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60971346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).