2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide

C13H9F5N2OS — CID 122145800

IUPAC2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)c(F)cc1F
InChIInChI=1S/C13H9F5N2OS/c1-6-2-7(9(15)3-8(6)14)12(21)19-4-11-20-10(5-22-11)13(16,17)18/h2-3,5H,4H2,1H3,(H,19,21)
InChIKeyUDKJACGJWZAPGT-UHFFFAOYSA-N
MW336.29 g/mol
LogP3.68
Rot. Bonds3

About 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide

2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 122145800) has the molecular formula C13H9F5N2OS and a molecular weight of 336.29 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID122145800
Molecular FormulaC13H9F5N2OS
Molecular Weight336.29 g/mol
Exact Mass336.04
IUPAC Name2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)c(F)cc1F
InChIInChI=1S/C13H9F5N2OS/c1-6-2-7(9(15)3-8(6)14)12(21)19-4-11-20-10(5-22-11)13(16,17)18/h2-3,5H,4H2,1H3,(H,19,21)
InChIKeyUDKJACGJWZAPGT-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide 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

4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 122157606
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120821934
2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 122142093
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
N-[(3-bromothiophen-2-yl)methyl]-2,4-difluoro-5-methylbenzamide
CID 112696487
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615938
2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120668636
1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 86800062
2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
CID 119328988
1-(3-ethyl-2-hydroxypentyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111450720
1-(1,3-dimethylpyrazol-4-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 126784097

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 122145800) is 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide is Cc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is UDKJACGJWZAPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2OS/c1-6-2-7(9(15)3-8(6)14)12(21)19-4-11-20-10(5-22-11)13(16,17)18/h2-3,5H,4H2,1H3,(H,19,21).
What are the key properties of 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 336.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 122145800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).