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

C13H12F3NOS — CID 90418352

IUPAC[5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCc1ccc(-c2snc(C(F)(F)F)c2CO)c(C)c1
InChIInChI=1S/C13H12F3NOS/c1-7-3-4-9(8(2)5-7)11-10(6-18)12(17-19-11)13(14,15)16/h3-5,18H,6H2,1-2H3
InChIKeyVPJISAJMNINRJQ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.94
Rot. Bonds2

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

[5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (PubChem CID 90418352) has the molecular formula C13H12F3NOS and a molecular weight of 287.31 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
PubChem CID90418352
Molecular FormulaC13H12F3NOS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name[5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCc1ccc(-c2snc(C(F)(F)F)c2CO)c(C)c1
InChIInChI=1S/C13H12F3NOS/c1-7-3-4-9(8(2)5-7)11-10(6-18)12(17-19-11)13(14,15)16/h3-5,18H,6H2,1-2H3
InChIKeyVPJISAJMNINRJQ-UHFFFAOYSA-N
XLogP3.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (CID 90418352) is [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is Cc1ccc(-c2snc(C(F)(F)F)c2CO)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is VPJISAJMNINRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS/c1-7-3-4-9(8(2)5-7)11-10(6-18)12(17-19-11)13(14,15)16/h3-5,18H,6H2,1-2H3.
What are the key properties of [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
[5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 287.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90418352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).