2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol

C19H22N6O2S — CID 164613950

IUPAC2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CN2CCN(CCO)CC2)o1
InChIInChI=1S/C19H22N6O2S/c1-13-17(25-14-4-2-3-5-15(14)28-19(25)20-13)18-22-21-16(27-18)12-24-8-6-23(7-9-24)10-11-26/h2-5,26H,6-12H2,1H3
InChIKeyYTCIHLDHIZSNBS-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.02
Rot. Bonds5

About 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 164613950) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol
PubChem CID164613950
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CN2CCN(CCO)CC2)o1
InChIInChI=1S/C19H22N6O2S/c1-13-17(25-14-4-2-3-5-15(14)28-19(25)20-13)18-22-21-16(27-18)12-24-8-6-23(7-9-24)10-11-26/h2-5,26H,6-12H2,1H3
InChIKeyYTCIHLDHIZSNBS-UHFFFAOYSA-N
XLogP2.02
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol (CID 164613950) is 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol is Cc1nc2sc3ccccc3n2c1-c1nnc(CN2CCN(CCO)CC2)o1.
What is the InChIKey of 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is YTCIHLDHIZSNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-13-17(25-14-4-2-3-5-15(14)28-19(25)20-13)18-22-21-16(27-18)12-24-8-6-23(7-9-24)10-11-26/h2-5,26H,6-12H2,1H3.
What are the key properties of 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 398.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 164613950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).