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

C13H13ClFNOS — CID 114033903

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(C)c(C(O)Cc2cc(F)ccc2Cl)s1
InChIInChI=1S/C13H13ClFNOS/c1-7-13(18-8(2)16-7)12(17)6-9-5-10(15)3-4-11(9)14/h3-5,12,17H,6H2,1-2H3
InChIKeyGHXXLWYPFHABRV-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.83
Rot. Bonds3

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

2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol (PubChem CID 114033903) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
PubChem CID114033903
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(C)c(C(O)Cc2cc(F)ccc2Cl)s1
InChIInChI=1S/C13H13ClFNOS/c1-7-13(18-8(2)16-7)12(17)6-9-5-10(15)3-4-11(9)14/h3-5,12,17H,6H2,1-2H3
InChIKeyGHXXLWYPFHABRV-UHFFFAOYSA-N
XLogP3.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220171
2-(2-chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102623179
2-(2-chloro-5-fluorophenyl)-1-pyridin-4-ylethanol
CID 102617218
2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol
CID 102617231
2-(2-chloro-5-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373694
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 61192642
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
CID 102623136
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol (CID 114033903) is 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol is Cc1nc(C)c(C(O)Cc2cc(F)ccc2Cl)s1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is GHXXLWYPFHABRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c1-7-13(18-8(2)16-7)12(17)6-9-5-10(15)3-4-11(9)14/h3-5,12,17H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol?
2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 285.77 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 114033903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).