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

C12H12FNOS — CID 54593693

IUPAC1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccccc2F)sc1C(C)O
InChIInChI=1S/C12H12FNOS/c1-7-11(8(2)15)16-12(14-7)9-5-3-4-6-10(9)13/h3-6,8,15H,1-2H3
InChIKeyPLZJBIRRCPLZDA-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.31
Rot. Bonds2

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

1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 54593693) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID54593693
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccccc2F)sc1C(C)O
InChIInChI=1S/C12H12FNOS/c1-7-11(8(2)15)16-12(14-7)9-5-3-4-6-10(9)13/h3-6,8,15H,1-2H3
InChIKeyPLZJBIRRCPLZDA-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62308724
N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95934089
(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 6923600
1-[4-methyl-2-(4-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanol
CID 114878683
2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
CID 95769175
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 82084790
(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001078
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
(2R)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769045
(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769043
(2S)-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 54593693) is 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2ccccc2F)sc1C(C)O.
What is the InChIKey of 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is PLZJBIRRCPLZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7-11(8(2)15)16-12(14-7)9-5-3-4-6-10(9)13/h3-6,8,15H,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 237.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 54593693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).