[4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol

C12H15F3N2OS — CID 63915465

IUPAC[4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N(CC(F)(F)F)C2CC2)nc1C1CC1
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)6-17(8-3-4-8)11-16-10(7-1-2-7)9(5-18)19-11/h7-8,18H,1-6H2
InChIKeyXTBMUPHIWKXFJG-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.04
Rot. Bonds5

About [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 63915465) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID63915465
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name[4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N(CC(F)(F)F)C2CC2)nc1C1CC1
InChIInChI=1S/C12H15F3N2OS/c13-12(14,15)6-17(8-3-4-8)11-16-10(7-1-2-7)9(5-18)19-11/h7-8,18H,1-6H2
InChIKeyXTBMUPHIWKXFJG-UHFFFAOYSA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 63915465) is [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is OCc1sc(N(CC(F)(F)F)C2CC2)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is XTBMUPHIWKXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c13-12(14,15)6-17(8-3-4-8)11-16-10(7-1-2-7)9(5-18)19-11/h7-8,18H,1-6H2.
What are the key properties of [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 292.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63915465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).