2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol

C12H12FNOS — CID 54670924

IUPAC2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1C(CO)c1ccc(F)cc1
InChIInChI=1S/C12H12FNOS/c1-8-12(16-7-14-8)11(6-15)9-2-4-10(13)5-3-9/h2-5,7,11,15H,6H2,1H3
InChIKeyDVENUQUGFVEEMH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol

2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 54670924) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID54670924
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1C(CO)c1ccc(F)cc1
InChIInChI=1S/C12H12FNOS/c1-8-12(16-7-14-8)11(6-15)9-2-4-10(13)5-3-9/h2-5,7,11,15H,6H2,1H3
InChIKeyDVENUQUGFVEEMH-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 54670924) is 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol is Cc1ncsc1C(CO)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is DVENUQUGFVEEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-8-12(16-7-14-8)11(6-15)9-2-4-10(13)5-3-9/h2-5,7,11,15H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol?
2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 237.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 54670924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).