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

C13H11F3N2OS — CID 108760187

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCc1nc(CNC(=O)c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C13H11F3N2OS/c1-8-18-9(7-20-8)6-17-12(19)10-4-2-3-5-11(10)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyJLDVDHHJZWWJSV-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.40
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 108760187) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID108760187
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCc1nc(CNC(=O)c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C13H11F3N2OS/c1-8-18-9(7-20-8)6-17-12(19)10-4-2-3-5-11(10)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyJLDVDHHJZWWJSV-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)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-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62660002
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61282600
N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114198
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 121018813
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
CID 71795517
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
CID 47065587

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide (CID 108760187) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide is Cc1nc(CNC(=O)c2ccccc2C(F)(F)F)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is JLDVDHHJZWWJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-8-18-9(7-20-8)6-17-12(19)10-4-2-3-5-11(10)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 300.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108760187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).