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

C13H14FNOS — CID 62799669

IUPAC1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FNOS/c1-9-15-12(8-17-9)7-13(16)6-10-2-4-11(14)5-3-10/h2-5,8,13,16H,6-7H2,1H3
InChIKeyNUCZLEFQJVDFQK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.74
Rot. Bonds4

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

1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 62799669) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID62799669
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FNOS/c1-9-15-12(8-17-9)7-13(16)6-10-2-4-11(14)5-3-10/h2-5,8,13,16H,6-7H2,1H3
InChIKeyNUCZLEFQJVDFQK-UHFFFAOYSA-N
XLogP2.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{4-(3-Fluorobenzyl)-1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl}methanol
CID 16189938
phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
CID 46942968
(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
CID 49792416
2-(4-Fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 54671114
2-{2-[(4-Fluorophenyl)methyl]-1,3-thiazol-4-yl}acetic acid
CID 43152247
2-[2-Hydroxy-2-(2-trifluoromethylphenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 80304972
2-[2-Hydroxy-2-(3-trifluoromethylphenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 80305398
2-Methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-phenylbuta-2,3-dien-1-ol
CID 11076105
4-Methyl-alpha-phenyl-2-thiaZolemethanol
CID 55201426
(1R)-1-(2,6-difluorophenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]ethanol
CID 164635268
2-[2-(4-Trifluoromethyl-phenyl)-thiazol-4-yl]-ethanol
CID 10612285
2,2-Difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol
CID 15941937

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 62799669) is 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc(CC(O)Cc2ccc(F)cc2)cs1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is NUCZLEFQJVDFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-9-15-12(8-17-9)7-13(16)6-10-2-4-11(14)5-3-10/h2-5,8,13,16H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 62799669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).