1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol

C12H12FNOS — CID 112642497

IUPAC1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(Cc1cncs1)Cc1ccccc1F
InChIInChI=1S/C12H12FNOS/c13-12-4-2-1-3-9(12)5-10(15)6-11-7-14-8-16-11/h1-4,7-8,10,15H,5-6H2
InChIKeyLLLJNDLCAJFLAS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol

1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 112642497) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID112642497
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(Cc1cncs1)Cc1ccccc1F
InChIInChI=1S/C12H12FNOS/c13-12-4-2-1-3-9(12)5-10(15)6-11-7-14-8-16-11/h1-4,7-8,10,15H,5-6H2
InChIKeyLLLJNDLCAJFLAS-UHFFFAOYSA-N
XLogP2.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642524
1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
1-(2,6-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642505
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830518
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 130594756
1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 114833540
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol (CID 112642497) is 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol is OC(Cc1cncs1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is LLLJNDLCAJFLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-12-4-2-1-3-9(12)5-10(15)6-11-7-14-8-16-11/h1-4,7-8,10,15H,5-6H2.
What are the key properties of 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 112642497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).