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

C12H17F3N2OS — CID 63918389

IUPAC[4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C12H17F3N2OS/c1-7(2)17(6-12(13,14)15)11-16-10(8-3-4-8)9(5-18)19-11/h7-8,18H,3-6H2,1-2H3
InChIKeyQVJKIBRCZGLPPV-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.29
Rot. Bonds5

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

[4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 63918389) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is [4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID63918389
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name[4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C12H17F3N2OS/c1-7(2)17(6-12(13,14)15)11-16-10(8-3-4-8)9(5-18)19-11/h7-8,18H,3-6H2,1-2H3
InChIKeyQVJKIBRCZGLPPV-UHFFFAOYSA-N
XLogP3.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-cyclopropyl-2-[propan-2-yl(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-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 63918389) is [4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CC(C)N(CC(F)(F)F)c1nc(C2CC2)c(CO)s1.
What is the InChIKey of [4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is QVJKIBRCZGLPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-7(2)17(6-12(13,14)15)11-16-10(8-3-4-8)9(5-18)19-11/h7-8,18H,3-6H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 294.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63918389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).