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

C12H11ClFNOS — CID 114852713

IUPAC2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(O)Cc2ccc(Cl)cc2F)n1
InChIInChI=1S/C12H11ClFNOS/c1-7-6-17-12(15-7)11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5-6,11,16H,4H2,1H3
InChIKeyYVAXWZJRZDAZAN-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.52
Rot. Bonds3

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

2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol (PubChem CID 114852713) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
PubChem CID114852713
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
SMILESCc1csc(C(O)Cc2ccc(Cl)cc2F)n1
InChIInChI=1S/C12H11ClFNOS/c1-7-6-17-12(15-7)11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5-6,11,16H,4H2,1H3
InChIKeyYVAXWZJRZDAZAN-UHFFFAOYSA-N
XLogP3.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 113451254
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939
2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 114852395
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 134065458
1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113451251
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188
[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105342726
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(4-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769420
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol (CID 114852713) is 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol is Cc1csc(C(O)Cc2ccc(Cl)cc2F)n1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is YVAXWZJRZDAZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c1-7-6-17-12(15-7)11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5-6,11,16H,4H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 271.74 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 114852713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).