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

C7H9F3N2OS — CID 62752989

IUPAC[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC(F)(F)F)c1ncc(CO)s1
InChIInChI=1S/C7H9F3N2OS/c1-12(4-7(8,9)10)6-11-2-5(3-13)14-6/h2,13H,3-4H2,1H3
InChIKeyUXURLGOXIRCZAK-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.63
Rot. Bonds3

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

[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62752989) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62752989
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CC(F)(F)F)c1ncc(CO)s1
InChIInChI=1S/C7H9F3N2OS/c1-12(4-7(8,9)10)6-11-2-5(3-13)14-6/h2,13H,3-4H2,1H3
InChIKeyUXURLGOXIRCZAK-UHFFFAOYSA-N
XLogP1.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62752989) is [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CN(CC(F)(F)F)c1ncc(CO)s1.
What is the InChIKey of [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is UXURLGOXIRCZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-12(4-7(8,9)10)6-11-2-5(3-13)14-6/h2,13H,3-4H2,1H3.
What are the key properties of [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 226.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62752989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).