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

C12H18F3N3OS — CID 62970394

IUPAC[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N2CCN(CC(F)(F)F)CC2)sc1CO
InChIInChI=1S/C12H18F3N3OS/c1-2-9-10(7-19)20-11(16-9)18-5-3-17(4-6-18)8-12(13,14)15/h19H,2-8H2,1H3
InChIKeyPKSKQSTZSDGSMV-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.88
Rot. Bonds4

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

[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 62970394) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID62970394
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N2CCN(CC(F)(F)F)CC2)sc1CO
InChIInChI=1S/C12H18F3N3OS/c1-2-9-10(7-19)20-11(16-9)18-5-3-17(4-6-18)8-12(13,14)15/h19H,2-8H2,1H3
InChIKeyPKSKQSTZSDGSMV-UHFFFAOYSA-N
XLogP1.88
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol (CID 62970394) is [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol is CCc1nc(N2CCN(CC(F)(F)F)CC2)sc1CO.
What is the InChIKey of [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is PKSKQSTZSDGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-2-9-10(7-19)20-11(16-9)18-5-3-17(4-6-18)8-12(13,14)15/h19H,2-8H2,1H3.
What are the key properties of [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol?
[4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 309.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62970394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).