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

C20H24N6OS — CID 164609488

IUPAC2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCCN1CCN(Cc2nnc(-c3c(C)nc4sc5ccccc5n34)o2)CC1
InChIInChI=1S/C20H24N6OS/c1-3-8-24-9-11-25(12-10-24)13-17-22-23-19(27-17)18-14(2)21-20-26(18)15-6-4-5-7-16(15)28-20/h4-7H,3,8-13H2,1-2H3
InChIKeyJOMUYBRUJHFADH-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.44
Rot. Bonds5

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

2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 164609488) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID164609488
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCCN1CCN(Cc2nnc(-c3c(C)nc4sc5ccccc5n34)o2)CC1
InChIInChI=1S/C20H24N6OS/c1-3-8-24-9-11-25(12-10-24)13-17-22-23-19(27-17)18-14(2)21-20-26(18)15-6-4-5-7-16(15)28-20/h4-7H,3,8-13H2,1-2H3
InChIKeyJOMUYBRUJHFADH-UHFFFAOYSA-N
XLogP3.44
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-Methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[2-(4-methylpiperidin-1-yl)ethyl]-1,3,4-oxadiazole
CID 164611847
2-(2-Methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole
CID 164613556
2-[[5-(2-Methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methylamino]ethanol
CID 164613714
2-[4-[[5-(2-Methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanol
CID 164613950
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
Harmine 19a HCI
CID 164615519
1-[2-[5-(2-Methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]azetidin-3-ol
CID 164615841
N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 164617998
1-[2-[5-(2-Methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-ol
CID 164625985
N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 164626308
N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 164627587
N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine
CID 164609184

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 164609488) is 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CCCN1CCN(Cc2nnc(-c3c(C)nc4sc5ccccc5n34)o2)CC1.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is JOMUYBRUJHFADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-3-8-24-9-11-25(12-10-24)13-17-22-23-19(27-17)18-14(2)21-20-26(18)15-6-4-5-7-16(15)28-20/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 396.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 164609488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).