N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide

C17H16F4N2OS — CID 59866120

IUPACN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCc1s/c(=N/C(=O)c2c(F)cccc2C(F)(F)F)n(CC2CC2)c1C
InChIInChI=1S/C17H16F4N2OS/c1-9-10(2)25-16(23(9)8-11-6-7-11)22-15(24)14-12(17(19,20)21)4-3-5-13(14)18/h3-5,11H,6-8H2,1-2H3/b22-16+
InChIKeyCASATTVCTVEYHO-CJLVFECKSA-N
MW372.39 g/mol
LogP4.48
Rot. Bonds3

About N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide

N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 59866120) has the molecular formula C17H16F4N2OS and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID59866120
Molecular FormulaC17H16F4N2OS
Molecular Weight372.39 g/mol
Exact Mass372.09
IUPAC NameN-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCc1s/c(=N/C(=O)c2c(F)cccc2C(F)(F)F)n(CC2CC2)c1C
InChIInChI=1S/C17H16F4N2OS/c1-9-10(2)25-16(23(9)8-11-6-7-11)22-15(24)14-12(17(19,20)21)4-3-5-13(14)18/h3-5,11H,6-8H2,1-2H3/b22-16+
InChIKeyCASATTVCTVEYHO-CJLVFECKSA-N
XLogP4.48
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(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

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide
CID 59865959
4-chloro-N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-methylbenzamide
CID 59865991
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide
CID 59866098
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2-fluoro-5-iodobenzamide
CID 59866108
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
N-[3-(cyclopropylmethyl)-1,3-thiazol-2-ylidene]-2-fluoro-3-(trifluoromethyl)benzamide
CID 59865796
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide
CID 59865886
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-3-piperidin-1-ylbenzamide
CID 59866175
3-bromo-N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide
CID 59865923
ethyl 3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropanoate
CID 83403472
carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
CID 158241209
N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 18734578

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide (CID 59866120) is N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide is Cc1s/c(=N/C(=O)c2c(F)cccc2C(F)(F)F)n(CC2CC2)c1C.
What is the InChIKey of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is CASATTVCTVEYHO-CJLVFECKSA-N. The full InChI is InChI=1S/C17H16F4N2OS/c1-9-10(2)25-16(23(9)8-11-6-7-11)22-15(24)14-12(17(19,20)21)4-3-5-13(14)18/h3-5,11H,6-8H2,1-2H3/b22-16+.
What are the key properties of N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide?
N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 372.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 59866120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).