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

C11H12F3N3OS — CID 106782170

IUPAC(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)n1cncc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3OS/c1-6(2)17-5-15-3-7(17)9(18)8-4-16-10(19-8)11(12,13)14/h3-6,9,18H,1-2H3
InChIKeyGICXXTGWYCCGLC-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.02
Rot. Bonds3

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

(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782170) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782170
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)n1cncc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3OS/c1-6(2)17-5-15-3-7(17)9(18)8-4-16-10(19-8)11(12,13)14/h3-6,9,18H,1-2H3
InChIKeyGICXXTGWYCCGLC-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782170) is (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC(C)n1cncc1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is GICXXTGWYCCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-6(2)17-5-15-3-7(17)9(18)8-4-16-10(19-8)11(12,13)14/h3-6,9,18H,1-2H3.
What are the key properties of (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 291.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).