2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol

C12H11ClFNOS — CID 105124092

IUPAC2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C12H11ClFNOS/c1-7-12(17-6-15-7)10(16)5-8-3-2-4-9(14)11(8)13/h2-4,6,10,16H,5H2,1H3
InChIKeyUVVANAGBHOWLTR-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.52
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 105124092) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID105124092
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C12H11ClFNOS/c1-7-12(17-6-15-7)10(16)5-8-3-2-4-9(14)11(8)13/h2-4,6,10,16H,5H2,1H3
InChIKeyUVVANAGBHOWLTR-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-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 112653181
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 112653500
2-(2-chloro-3-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105124053
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 101008965
2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105087638

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 105124092) is 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol is Cc1ncsc1C(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is UVVANAGBHOWLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c1-7-12(17-6-15-7)10(16)5-8-3-2-4-9(14)11(8)13/h2-4,6,10,16H,5H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-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-(2-chloro-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 105124092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).