2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole

C19H21N5OS — CID 164615519

IUPAC2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCCCC2)o1
InChIInChI=1S/C19H21N5OS/c1-13-17(24-14-7-3-4-8-15(14)26-19(24)20-13)18-22-21-16(25-18)9-12-23-10-5-2-6-11-23/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyIEPXMWDSFMEZRK-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.94
Rot. Bonds4

About 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole

2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole (PubChem CID 164615519) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
PubChem CID164615519
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCCCC2)o1
InChIInChI=1S/C19H21N5OS/c1-13-17(24-14-7-3-4-8-15(14)26-19(24)20-13)18-22-21-16(25-18)9-12-23-10-5-2-6-11-23/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyIEPXMWDSFMEZRK-UHFFFAOYSA-N
XLogP3.94
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole (CID 164615519) is 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole is Cc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCCCC2)o1.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole?
The InChIKey is IEPXMWDSFMEZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-17(24-14-7-3-4-8-15(14)26-19(24)20-13)18-22-21-16(25-18)9-12-23-10-5-2-6-11-23/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole?
2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole has a molecular weight of 367.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 164615519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).