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

C13H13ClFNOS — CID 62800032

IUPAC1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2ccc(F)cc2Cl)cs1
InChIInChI=1S/C13H13ClFNOS/c1-8-16-11(7-18-8)6-12(17)4-9-2-3-10(15)5-13(9)14/h2-3,5,7,12,17H,4,6H2,1H3
InChIKeyHSZCLBJICAWTQS-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.39
Rot. Bonds4

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

1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 62800032) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID62800032
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2ccc(F)cc2Cl)cs1
InChIInChI=1S/C13H13ClFNOS/c1-8-16-11(7-18-8)6-12(17)4-9-2-3-10(15)5-13(9)14/h2-3,5,7,12,17H,4,6H2,1H3
InChIKeyHSZCLBJICAWTQS-UHFFFAOYSA-N
XLogP3.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62798079
1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745107
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812042
1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 62607073
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105394886
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 62800032) is 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc(CC(O)Cc2ccc(F)cc2Cl)cs1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is HSZCLBJICAWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c1-8-16-11(7-18-8)6-12(17)4-9-2-3-10(15)5-13(9)14/h2-3,5,7,12,17H,4,6H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 285.77 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 62800032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).