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

C11H9ClFNOS — CID 115830518

IUPAC1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1cccc(F)c1Cl
InChIInChI=1S/C11H9ClFNOS/c12-11-8(2-1-3-9(11)13)10(15)4-7-5-14-6-16-7/h1-3,5-6,10,15H,4H2
InChIKeyBACBMFLPFCEVAF-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.21
Rot. Bonds3

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

1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 115830518) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID115830518
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1cccc(F)c1Cl
InChIInChI=1S/C11H9ClFNOS/c12-11-8(2-1-3-9(11)13)10(15)4-7-5-14-6-16-7/h1-3,5-6,10,15H,4H2
InChIKeyBACBMFLPFCEVAF-UHFFFAOYSA-N
XLogP3.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-(2-chloro-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030273
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 107985817
1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642524
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830443
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 130594756
1-(2,6-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642505
1-(4-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642068
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
1-(2-chloro-3-fluorophenyl)hexan-1-ol
CID 115784419
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol (CID 115830518) is 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol is OC(Cc1cncs1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is BACBMFLPFCEVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c12-11-8(2-1-3-9(11)13)10(15)4-7-5-14-6-16-7/h1-3,5-6,10,15H,4H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol?
1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 257.72 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 115830518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).