2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol

C12H10F3NOS — CID 55155228

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol
SMILESCc1csc(CC(O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C12H10F3NOS/c1-6-5-18-10(16-6)4-9(17)7-2-3-8(13)12(15)11(7)14/h2-3,5,9,17H,4H2,1H3
InChIKeyIIXZLYXMVZJVFH-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol

2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol (PubChem CID 55155228) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol
PubChem CID55155228
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol
SMILESCc1csc(CC(O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C12H10F3NOS/c1-6-5-18-10(16-6)4-9(17)7-2-3-8(13)12(15)11(7)14/h2-3,5,9,17H,4H2,1H3
InChIKeyIIXZLYXMVZJVFH-UHFFFAOYSA-N
XLogP3.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 62797386
1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824178
N-[1-(2-bromo-3,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 107539423
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 103143412
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 107538340
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
1-(2,4-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066949
2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918244
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-difluorophenyl)ethanol
CID 79820006

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol (CID 55155228) is 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol is Cc1csc(CC(O)c2ccc(F)c(F)c2F)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol?
The InChIKey is IIXZLYXMVZJVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-6-5-18-10(16-6)4-9(17)7-2-3-8(13)12(15)11(7)14/h2-3,5,9,17H,4H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol?
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol has a molecular weight of 273.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol is sourced from PubChem (CID 55155228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).