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

C10H14F3N3OS — CID 62969517

IUPAC[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)7-15-1-3-16(4-2-15)9-14-5-8(6-17)18-9/h5,17H,1-4,6-7H2
InChIKeyNIMYXAWWMBJPAF-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.32
Rot. Bonds3

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

[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 62969517) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID62969517
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)7-15-1-3-16(4-2-15)9-14-5-8(6-17)18-9/h5,17H,1-4,6-7H2
InChIKeyNIMYXAWWMBJPAF-UHFFFAOYSA-N
XLogP1.32
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol (CID 62969517) is [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol is OCc1cnc(N2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is NIMYXAWWMBJPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)7-15-1-3-16(4-2-15)9-14-5-8(6-17)18-9/h5,17H,1-4,6-7H2.
What are the key properties of [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 281.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62969517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).