2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol

C12H12FNOS — CID 112645256

IUPAC2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESOCC(Cc1cncs1)c1ccc(F)cc1
InChIInChI=1S/C12H12FNOS/c13-11-3-1-9(2-4-11)10(7-15)5-12-6-14-8-16-12/h1-4,6,8,10,15H,5,7H2
InChIKeyWYDKKILZAMTMQK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol

2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol (PubChem CID 112645256) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
PubChem CID112645256
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESOCC(Cc1cncs1)c1ccc(F)cc1
InChIInChI=1S/C12H12FNOS/c13-11-3-1-9(2-4-11)10(7-15)5-12-6-14-8-16-12/h1-4,6,8,10,15H,5,7H2
InChIKeyWYDKKILZAMTMQK-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645258
1-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155534330
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-thiazole
CID 112645332
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
1-(3-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642652
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 130594756

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol (CID 112645256) is 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol is OCC(Cc1cncs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is WYDKKILZAMTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-11-3-1-9(2-4-11)10(7-15)5-12-6-14-8-16-12/h1-4,6,8,10,15H,5,7H2.
What are the key properties of 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol?
2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 112645256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).