2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

C11H8F3NS — CID 90922918

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(Cc2nccs2)cc1
InChIInChI=1S/C11H8F3NS/c12-11(13,14)9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-6H,7H2
InChIKeyFFPVGAPDTFSXCH-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.75
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole

2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (PubChem CID 90922918) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
PubChem CID90922918
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(Cc2nccs2)cc1
InChIInChI=1S/C11H8F3NS/c12-11(13,14)9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-6H,7H2
InChIKeyFFPVGAPDTFSXCH-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole 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

2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 57476546
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 61286204
[4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 67144734
3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102943192
2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
CID 82007498
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824515
4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 163208092
1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 10038071
1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 79824667
1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79823518
1-N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 55218592

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole (CID 90922918) is 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is FC(F)(F)c1ccc(Cc2nccs2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
The InChIKey is FFPVGAPDTFSXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c12-11(13,14)9-3-1-8(2-4-9)7-10-15-5-6-16-10/h1-6H,7H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole?
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole has a molecular weight of 243.25 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 90922918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).