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

C9H13F3N2OS — CID 62752999

IUPAC[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1ncc(CO)s1
InChIInChI=1S/C9H13F3N2OS/c1-6(2)14(5-9(10,11)12)8-13-3-7(4-15)16-8/h3,6,15H,4-5H2,1-2H3
InChIKeyGWDXNWIRKXLOGQ-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.41
Rot. Bonds4

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

[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62752999) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62752999
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1ncc(CO)s1
InChIInChI=1S/C9H13F3N2OS/c1-6(2)14(5-9(10,11)12)8-13-3-7(4-15)16-8/h3,6,15H,4-5H2,1-2H3
InChIKeyGWDXNWIRKXLOGQ-UHFFFAOYSA-N
XLogP2.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol (CID 62752999) is [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is CC(C)N(CC(F)(F)F)c1ncc(CO)s1.
What is the InChIKey of [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is GWDXNWIRKXLOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-6(2)14(5-9(10,11)12)8-13-3-7(4-15)16-8/h3,6,15H,4-5H2,1-2H3.
What are the key properties of [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol?
[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 254.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62752999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).