N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine

C18H19N5OS — CID 164627587

IUPACN-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CNC2CCCC2)o1
InChIInChI=1S/C18H19N5OS/c1-11-16(23-13-8-4-5-9-14(13)25-18(23)20-11)17-22-21-15(24-17)10-19-12-6-2-3-7-12/h4-5,8-9,12,19H,2-3,6-7,10H2,1H3
InChIKeyIAVPZSQKAQIUIK-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.94
Rot. Bonds4

About N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine

N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine (PubChem CID 164627587) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
PubChem CID164627587
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CNC2CCCC2)o1
InChIInChI=1S/C18H19N5OS/c1-11-16(23-13-8-4-5-9-14(13)25-18(23)20-11)17-22-21-15(24-17)10-19-12-6-2-3-7-12/h4-5,8-9,12,19H,2-3,6-7,10H2,1H3
InChIKeyIAVPZSQKAQIUIK-UHFFFAOYSA-N
XLogP3.94
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine
CID 164609184
2-(2-Methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-[(4-propylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 164609488

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine (CID 164627587) is N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine is Cc1nc2sc3ccccc3n2c1-c1nnc(CNC2CCCC2)o1.
What is the InChIKey of N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The InChIKey is IAVPZSQKAQIUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-11-16(23-13-8-4-5-9-14(13)25-18(23)20-11)17-22-21-15(24-17)10-19-12-6-2-3-7-12/h4-5,8-9,12,19H,2-3,6-7,10H2,1H3.
What are the key properties of N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine has a molecular weight of 353.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 164627587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).