1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol

C12H12FNOS — CID 115830443

IUPAC1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCc1ccc(C(O)Cc2cncs2)c(F)c1
InChIInChI=1S/C12H12FNOS/c1-8-2-3-10(11(13)4-8)12(15)5-9-6-14-7-16-9/h2-4,6-7,12,15H,5H2,1H3
InChIKeyHCCFXICOTLTINW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol

1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 115830443) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID115830443
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCc1ccc(C(O)Cc2cncs2)c(F)c1
InChIInChI=1S/C12H12FNOS/c1-8-2-3-10(11(13)4-8)12(15)5-9-6-14-7-16-9/h2-4,6-7,12,15H,5H2,1H3
InChIKeyHCCFXICOTLTINW-UHFFFAOYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641881
1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 130594756
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
1-(3-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642652
1-(4-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642068
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529
1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830518
1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 107985817
N-[1-(2-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030418
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115790170

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol (CID 115830443) is 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol is Cc1ccc(C(O)Cc2cncs2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is HCCFXICOTLTINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-8-2-3-10(11(13)4-8)12(15)5-9-6-14-7-16-9/h2-4,6-7,12,15H,5H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol?
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 237.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 115830443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).