[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol

C11H7ClF3NOS — CID 90417615

IUPAC[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)nsc1C(F)(F)F
InChIInChI=1S/C11H7ClF3NOS/c12-7-3-1-6(2-4-7)9-8(5-17)10(18-16-9)11(13,14)15/h1-4,17H,5H2
InChIKeyZFDWRCZVCMWFIM-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.97
Rot. Bonds2

About [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol

[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (PubChem CID 90417615) has the molecular formula C11H7ClF3NOS and a molecular weight of 293.70 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
PubChem CID90417615
Molecular FormulaC11H7ClF3NOS
Molecular Weight293.70 g/mol
Exact Mass292.99
IUPAC Name[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)nsc1C(F)(F)F
InChIInChI=1S/C11H7ClF3NOS/c12-7-3-1-6(2-4-7)9-8(5-17)10(18-16-9)11(13,14)15/h1-4,17H,5H2
InChIKeyZFDWRCZVCMWFIM-UHFFFAOYSA-N
XLogP3.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (CID 90417615) is [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is OCc1c(-c2ccc(Cl)cc2)nsc1C(F)(F)F.
What is the InChIKey of [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is ZFDWRCZVCMWFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NOS/c12-7-3-1-6(2-4-7)9-8(5-17)10(18-16-9)11(13,14)15/h1-4,17H,5H2.
What are the key properties of [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 293.70 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90417615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).