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

C12H16F3NOS — CID 106782157

IUPAC(3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1CCCC(C(O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H16F3NOS/c1-7-3-2-4-8(5-7)10(17)9-6-16-11(18-9)12(13,14)15/h6-8,10,17H,2-5H2,1H3
InChIKeyNTUAPWKWOQTZNU-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.02
Rot. Bonds2

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

(3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782157) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782157
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name(3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1CCCC(C(O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H16F3NOS/c1-7-3-2-4-8(5-7)10(17)9-6-16-11(18-9)12(13,14)15/h6-8,10,17H,2-5H2,1H3
InChIKeyNTUAPWKWOQTZNU-UHFFFAOYSA-N
XLogP4.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782157) is (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC1CCCC(C(O)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NTUAPWKWOQTZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-7-3-2-4-8(5-7)10(17)9-6-16-11(18-9)12(13,14)15/h6-8,10,17H,2-5H2,1H3.
What are the key properties of (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 279.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).