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

C17H17N5OS — CID 164613556

IUPAC2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CN2CCCC2)o1
InChIInChI=1S/C17H17N5OS/c1-11-15(16-20-19-14(23-16)10-21-8-4-5-9-21)22-12-6-2-3-7-13(12)24-17(22)18-11/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyAVYHLGOMLXWOQV-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.50
Rot. Bonds3

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

2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 164613556) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID164613556
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CN2CCCC2)o1
InChIInChI=1S/C17H17N5OS/c1-11-15(16-20-19-14(23-16)10-21-8-4-5-9-21)22-12-6-2-3-7-13(12)24-17(22)18-11/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyAVYHLGOMLXWOQV-UHFFFAOYSA-N
XLogP3.50
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.50
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-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole (CID 164613556) is 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole is Cc1nc2sc3ccccc3n2c1-c1nnc(CN2CCCC2)o1.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is AVYHLGOMLXWOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-15(16-20-19-14(23-16)10-21-8-4-5-9-21)22-12-6-2-3-7-13(12)24-17(22)18-11/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole?
2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 339.42 g/mol, XLogP of 3.50, 3 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-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 164613556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).