[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C12H15F3N4OS — CID 62966837

IUPAC[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(N2CCN(CC(F)(F)F)CC2)nc2sccn12
InChIInChI=1S/C12H15F3N4OS/c13-12(14,15)8-17-1-3-18(4-2-17)10-9(7-20)19-5-6-21-11(19)16-10/h5-6,20H,1-4,7-8H2
InChIKeyVPSGCBRNUWECBU-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.57
Rot. Bonds3

About [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 62966837) has the molecular formula C12H15F3N4OS and a molecular weight of 320.34 g/mol. Its IUPAC name is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID62966837
Molecular FormulaC12H15F3N4OS
Molecular Weight320.34 g/mol
Exact Mass320.09
IUPAC Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(N2CCN(CC(F)(F)F)CC2)nc2sccn12
InChIInChI=1S/C12H15F3N4OS/c13-12(14,15)8-17-1-3-18(4-2-17)10-9(7-20)19-5-6-21-11(19)16-10/h5-6,20H,1-4,7-8H2
InChIKeyVPSGCBRNUWECBU-UHFFFAOYSA-N
XLogP1.57
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 62966837) is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is OCc1c(N2CCN(CC(F)(F)F)CC2)nc2sccn12.
What is the InChIKey of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is VPSGCBRNUWECBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4OS/c13-12(14,15)8-17-1-3-18(4-2-17)10-9(7-20)19-5-6-21-11(19)16-10/h5-6,20H,1-4,7-8H2.
What are the key properties of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 320.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 62966837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).