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

C13H18F3NOS — CID 106782781

IUPAC(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCC1CCCC(C(O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H18F3NOS/c1-2-8-4-3-5-9(6-8)11(18)10-7-17-12(19-10)13(14,15)16/h7-9,11,18H,2-6H2,1H3
InChIKeyKPRZJASMTPPKMB-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.41
Rot. Bonds3

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

(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782781) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782781
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCC1CCCC(C(O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H18F3NOS/c1-2-8-4-3-5-9(6-8)11(18)10-7-17-12(19-10)13(14,15)16/h7-9,11,18H,2-6H2,1H3
InChIKeyKPRZJASMTPPKMB-UHFFFAOYSA-N
XLogP4.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782781) is (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CCC1CCCC(C(O)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is KPRZJASMTPPKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-2-8-4-3-5-9(6-8)11(18)10-7-17-12(19-10)13(14,15)16/h7-9,11,18H,2-6H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 293.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).