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

C13H12F3NOS — CID 90418304

IUPAC[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCCc1ccc(-c2nsc(C(F)(F)F)c2CO)cc1
InChIInChI=1S/C13H12F3NOS/c1-2-8-3-5-9(6-4-8)11-10(7-18)12(19-17-11)13(14,15)16/h3-6,18H,2,7H2,1H3
InChIKeyZYHNHPPZEJGKFU-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.88
Rot. Bonds3

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

[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (PubChem CID 90418304) has the molecular formula C13H12F3NOS and a molecular weight of 287.31 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
PubChem CID90418304
Molecular FormulaC13H12F3NOS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCCc1ccc(-c2nsc(C(F)(F)F)c2CO)cc1
InChIInChI=1S/C13H12F3NOS/c1-2-8-3-5-9(6-4-8)11-10(7-18)12(19-17-11)13(14,15)16/h3-6,18H,2,7H2,1H3
InChIKeyZYHNHPPZEJGKFU-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (CID 90418304) is [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is CCc1ccc(-c2nsc(C(F)(F)F)c2CO)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is ZYHNHPPZEJGKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS/c1-2-8-3-5-9(6-4-8)11-10(7-18)12(19-17-11)13(14,15)16/h3-6,18H,2,7H2,1H3.
What are the key properties of [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 287.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90418304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).