[3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol

C13H13ClFNOS — CID 141390051

IUPAC[3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol
SMILESCC(C)c1snc(-c2c(F)cccc2Cl)c1CO
InChIInChI=1S/C13H13ClFNOS/c1-7(2)13-8(6-17)12(16-18-13)11-9(14)4-3-5-10(11)15/h3-5,7,17H,6H2,1-2H3
InChIKeyXWSGFQHDZSBXFI-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.22
Rot. Bonds3

About [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol

[3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol (PubChem CID 141390051) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol
PubChem CID141390051
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol
SMILESCC(C)c1snc(-c2c(F)cccc2Cl)c1CO
InChIInChI=1S/C13H13ClFNOS/c1-7(2)13-8(6-17)12(16-18-13)11-9(14)4-3-5-10(11)15/h3-5,7,17H,6H2,1-2H3
InChIKeyXWSGFQHDZSBXFI-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(4-Chlorophenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
CID 90417615
[5-(2-Fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
CID 90418044
(3-(4-Chlorophenyl)-5-(trifluoromethyl)isothiazol-4-yl)methyl methanesulfonate
CID 90418265
[3-[4-(1-Fluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 90418302
(3-(4-Ethylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
CID 90418304
[5-(1,1-Difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol
CID 90418631
(3-(2-Fluoro-4-chlorophenyl)-5-(trifluoromethyl)isothiazol-4-yl)methyl methanesulfonate
CID 90418644
[3-[4-(1,1-Difluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 90418686
[3-Ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol
CID 90418726
(3-(2-Fluoro-4-methylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
CID 90418878
[3-(4-Ethylphenyl)-5-(pentafluoroethyl)-1,2-thiazol-4-yl]methanol
CID 90418883
[3-(4-Methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 123568357

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol (CID 141390051) is [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol is CC(C)c1snc(-c2c(F)cccc2Cl)c1CO.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol?
The InChIKey is XWSGFQHDZSBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c1-7(2)13-8(6-17)12(16-18-13)11-9(14)4-3-5-10(11)15/h3-5,7,17H,6H2,1-2H3.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol?
[3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol has a molecular weight of 285.77 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 141390051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).