2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide

C16H16F3N3O4S3 — CID 167963055

IUPAC2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCSC(F)(F)F)cc2)s1
InChIInChI=1S/C16H16F3N3O4S3/c1-9-13(28-10(2)21-9)15(24)22-29(25,26)12-5-3-11(4-6-12)14(23)20-7-8-27-16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyVBTKRNABQXVCSY-UHFFFAOYSA-N
MW467.52 g/mol
LogP2.86
Rot. Bonds7

About 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide (PubChem CID 167963055) has the molecular formula C16H16F3N3O4S3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide
PubChem CID167963055
Molecular FormulaC16H16F3N3O4S3
Molecular Weight467.52 g/mol
Exact Mass467.03
IUPAC Name2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCSC(F)(F)F)cc2)s1
InChIInChI=1S/C16H16F3N3O4S3/c1-9-13(28-10(2)21-9)15(24)22-29(25,26)12-5-3-11(4-6-12)14(23)20-7-8-27-16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyVBTKRNABQXVCSY-UHFFFAOYSA-N
XLogP2.86
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide 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-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 71893535
2,4-dimethyl-N-(4,4,4-trifluorobutylsulfonyl)-1,3-thiazole-5-carboxamide
CID 84593433
3-[[4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222856
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395099
N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55823968
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46542533
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265867
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-[(S)-methylsulfinyl]benzamide
CID 96824693

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide (CID 167963055) is 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCSC(F)(F)F)cc2)s1.
What is the InChIKey of 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide?
The InChIKey is VBTKRNABQXVCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4S3/c1-9-13(28-10(2)21-9)15(24)22-29(25,26)12-5-3-11(4-6-12)14(23)20-7-8-27-16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]phenyl]sulfonyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167963055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).