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

C11H17F3N2OS — CID 62780156

IUPAC[4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C11H17F3N2OS/c1-10(2,3)8-7(5-17)18-9(15-8)16(4)6-11(12,13)14/h17H,5-6H2,1-4H3
InChIKeyXZXHMRSELWCHSV-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.93
Rot. Bonds3

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

[4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62780156) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62780156
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name[4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C11H17F3N2OS/c1-10(2,3)8-7(5-17)18-9(15-8)16(4)6-11(12,13)14/h17H,5-6H2,1-4H3
InChIKeyXZXHMRSELWCHSV-UHFFFAOYSA-N
XLogP2.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62780156) is [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CN(CC(F)(F)F)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is XZXHMRSELWCHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-10(2,3)8-7(5-17)18-9(15-8)16(4)6-11(12,13)14/h17H,5-6H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 282.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).