1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol

C11H16F3N3OS — CID 55140587

IUPAC1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H16F3N3OS/c1-8(18)9-6-15-10(19-9)17-4-2-16(3-5-17)7-11(12,13)14/h6,8,18H,2-5,7H2,1H3
InChIKeyUNKYZHFPMRWICE-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.88
Rot. Bonds3

About 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol

1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol (PubChem CID 55140587) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol
PubChem CID55140587
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H16F3N3OS/c1-8(18)9-6-15-10(19-9)17-4-2-16(3-5-17)7-11(12,13)14/h6,8,18H,2-5,7H2,1H3
InChIKeyUNKYZHFPMRWICE-UHFFFAOYSA-N
XLogP1.88
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol (CID 55140587) is 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is UNKYZHFPMRWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-8(18)9-6-15-10(19-9)17-4-2-16(3-5-17)7-11(12,13)14/h6,8,18H,2-5,7H2,1H3.
What are the key properties of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol?
1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 295.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55140587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).