1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol

C9H13F3N2OS — CID 64544605

IUPAC1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCCN(CC(F)(F)F)c1nc(C(C)O)cs1
InChIInChI=1S/C9H13F3N2OS/c1-3-14(5-9(10,11)12)8-13-7(4-16-8)6(2)15/h4,6,15H,3,5H2,1-2H3
InChIKeyNCNMXPGWJSACGE-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.59
Rot. Bonds4

About 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol

1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol (PubChem CID 64544605) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol
PubChem CID64544605
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCCN(CC(F)(F)F)c1nc(C(C)O)cs1
InChIInChI=1S/C9H13F3N2OS/c1-3-14(5-9(10,11)12)8-13-7(4-16-8)6(2)15/h4,6,15H,3,5H2,1-2H3
InChIKeyNCNMXPGWJSACGE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol (CID 64544605) is 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol is CCN(CC(F)(F)F)c1nc(C(C)O)cs1.
What is the InChIKey of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol?
The InChIKey is NCNMXPGWJSACGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-3-14(5-9(10,11)12)8-13-7(4-16-8)6(2)15/h4,6,15H,3,5H2,1-2H3.
What are the key properties of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol?
1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol has a molecular weight of 254.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64544605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).