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

C20H23N5OS — CID 164611847

IUPAC2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCC(C)CC2)o1
InChIInChI=1S/C20H23N5OS/c1-13-7-10-24(11-8-13)12-9-17-22-23-19(26-17)18-14(2)21-20-25(18)15-5-3-4-6-16(15)27-20/h3-6,13H,7-12H2,1-2H3
InChIKeyZZGJDIGMEMSXGG-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.18
Rot. Bonds4

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

2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 164611847) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID164611847
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCC(C)CC2)o1
InChIInChI=1S/C20H23N5OS/c1-13-7-10-24(11-8-13)12-9-17-22-23-19(26-17)18-14(2)21-20-25(18)15-5-3-4-6-16(15)27-20/h3-6,13H,7-12H2,1-2H3
InChIKeyZZGJDIGMEMSXGG-UHFFFAOYSA-N
XLogP4.18
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.18
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-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole (CID 164611847) is 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole is Cc1nc2sc3ccccc3n2c1-c1nnc(CCN2CCC(C)CC2)o1.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is ZZGJDIGMEMSXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-7-10-24(11-8-13)12-9-17-22-23-19(26-17)18-14(2)21-20-25(18)15-5-3-4-6-16(15)27-20/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 381.51 g/mol, XLogP of 4.18, 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-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 164611847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).