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

C20H24N6O2S — CID 164614695

IUPAC2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCN(CCO)CC2)o1
InChIInChI=1S/C20H24N6O2S/c1-14-18(26-15-4-2-3-5-16(15)29-20(26)21-14)19-23-22-17(28-19)6-7-24-8-10-25(11-9-24)12-13-27/h2-5,27H,6-13H2,1H3
InChIKeyXMCDGMJFXCWQMX-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.06
Rot. Bonds6

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

2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol (PubChem CID 164614695) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol
PubChem CID164614695
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCN(CCO)CC2)o1
InChIInChI=1S/C20H24N6O2S/c1-14-18(26-15-4-2-3-5-16(15)29-20(26)21-14)19-23-22-17(28-19)6-7-24-8-10-25(11-9-24)12-13-27/h2-5,27H,6-13H2,1H3
InChIKeyXMCDGMJFXCWQMX-UHFFFAOYSA-N
XLogP2.06
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol (CID 164614695) is 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol is Cc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCN(CCO)CC2)o1.
What is the InChIKey of 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol?
The InChIKey is XMCDGMJFXCWQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-14-18(26-15-4-2-3-5-16(15)29-20(26)21-14)19-23-22-17(28-19)6-7-24-8-10-25(11-9-24)12-13-27/h2-5,27H,6-13H2,1H3.
What are the key properties of 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol?
2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol has a molecular weight of 412.52 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 164614695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).