2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol

C13H12F3NO2S — CID 62918244

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESCc1csc(CC(O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3NO2S/c1-8-7-20-12(17-8)6-11(18)9-3-2-4-10(5-9)19-13(14,15)16/h2-5,7,11,18H,6H2,1H3
InChIKeySXVYVHZPPBGWIQ-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol

2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol (PubChem CID 62918244) has the molecular formula C13H12F3NO2S and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
PubChem CID62918244
Molecular FormulaC13H12F3NO2S
Molecular Weight303.31 g/mol
Exact Mass303.05
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESCc1csc(CC(O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3NO2S/c1-8-7-20-12(17-8)6-11(18)9-3-2-4-10(5-9)19-13(14,15)16/h2-5,7,11,18H,6H2,1H3
InChIKeySXVYVHZPPBGWIQ-UHFFFAOYSA-N
XLogP3.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107104973
1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019497
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105214746
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
[2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193895
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol (CID 62918244) is 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol is Cc1csc(CC(O)c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is SXVYVHZPPBGWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2S/c1-8-7-20-12(17-8)6-11(18)9-3-2-4-10(5-9)19-13(14,15)16/h2-5,7,11,18H,6H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 303.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62918244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).