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

C15H15N5O2S — CID 164613714

IUPAC2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CNCCO)o1
InChIInChI=1S/C15H15N5O2S/c1-9-13(14-19-18-12(22-14)8-16-6-7-21)20-10-4-2-3-5-11(10)23-15(20)17-9/h2-5,16,21H,6-8H2,1H3
InChIKeyXCDRHDYPSBDDMV-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.99
Rot. Bonds5

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

2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol (PubChem CID 164613714) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol
PubChem CID164613714
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CNCCO)o1
InChIInChI=1S/C15H15N5O2S/c1-9-13(14-19-18-12(22-14)8-16-6-7-21)20-10-4-2-3-5-11(10)23-15(20)17-9/h2-5,16,21H,6-8H2,1H3
InChIKeyXCDRHDYPSBDDMV-UHFFFAOYSA-N
XLogP1.99
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol?
The IUPAC name of 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol (CID 164613714) is 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol?
The canonical SMILES for 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol is Cc1nc2sc3ccccc3n2c1-c1nnc(CNCCO)o1.
What is the InChIKey of 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol?
The InChIKey is XCDRHDYPSBDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-13(14-19-18-12(22-14)8-16-6-7-21)20-10-4-2-3-5-11(10)23-15(20)17-9/h2-5,16,21H,6-8H2,1H3.
What are the key properties of 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol?
2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol has a molecular weight of 329.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol is sourced from PubChem (CID 164613714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).