[3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol

C12H10F3NOS — CID 123568357

IUPAC[3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCc1ccc(-c2nsc(C(F)(F)F)c2CO)cc1
InChIInChI=1S/C12H10F3NOS/c1-7-2-4-8(5-3-7)10-9(6-17)11(18-16-10)12(13,14)15/h2-5,17H,6H2,1H3
InChIKeySAIALCULHWPDGN-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.63
Rot. Bonds2

About [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol

[3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (PubChem CID 123568357) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
PubChem CID123568357
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name[3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCc1ccc(-c2nsc(C(F)(F)F)c2CO)cc1
InChIInChI=1S/C12H10F3NOS/c1-7-2-4-8(5-3-7)10-9(6-17)11(18-16-10)12(13,14)15/h2-5,17H,6H2,1H3
InChIKeySAIALCULHWPDGN-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
[5-(Hydroxymethyl)-3-phenyl-1,2-thiazol-4-yl]methanol
CID 13435381
[3-(4-Trifluoromethyl-phenyl)-isothiazol-5-yl]-methanol
CID 59212200
2-(3-(4-Fluorophenyl)isothiazol-5-yl)propan-2-ol
CID 68328241
(3-(4-Chlorophenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
CID 90417615
[5-(2-Fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
CID 90418044
(3-(2-Fluoro-4-methylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methyl methanesulfonate
CID 90418057
(5-(Trifluoromethyl)-3-(4-trifluoromethylphenyl)isothiazol-4-yl)methyl methanesulfonate
CID 90418158
[3-(4-Ethylphenyl)-5-(pentafluoroethyl)-1,2-thiazol-4-yl]methyl methanesulfonate
CID 90418228
(3-(3-Fluoro-4-methylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methyl methanesulfonate
CID 90418299
[3-[4-(1-Fluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 90418302
(3-(4-Ethylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
CID 90418304

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (CID 123568357) is [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is Cc1ccc(-c2nsc(C(F)(F)F)c2CO)cc1.
What is the InChIKey of [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is SAIALCULHWPDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-7-2-4-8(5-3-7)10-9(6-17)11(18-16-10)12(13,14)15/h2-5,17H,6H2,1H3.
What are the key properties of [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
[3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 273.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 123568357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).