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

C19H21N5OS — CID 164609184

IUPACN-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCNC2CCCC2)o1
InChIInChI=1S/C19H21N5OS/c1-12-17(24-14-8-4-5-9-15(14)26-19(24)21-12)18-23-22-16(25-18)10-11-20-13-6-2-3-7-13/h4-5,8-9,13,20H,2-3,6-7,10-11H2,1H3
InChIKeyLGNUNJNJTMPZFF-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.98
Rot. Bonds5

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

N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine (PubChem CID 164609184) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine
PubChem CID164609184
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CCNC2CCCC2)o1
InChIInChI=1S/C19H21N5OS/c1-12-17(24-14-8-4-5-9-15(14)26-19(24)21-12)18-23-22-16(25-18)10-11-20-13-6-2-3-7-13/h4-5,8-9,13,20H,2-3,6-7,10-11H2,1H3
InChIKeyLGNUNJNJTMPZFF-UHFFFAOYSA-N
XLogP3.98
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.98
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-[[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 164627587
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-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine (CID 164609184) is N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine is Cc1nc2sc3ccccc3n2c1-c1nnc(CCNC2CCCC2)o1.
What is the InChIKey of N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine?
The InChIKey is LGNUNJNJTMPZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-17(24-14-8-4-5-9-15(14)26-19(24)21-12)18-23-22-16(25-18)10-11-20-13-6-2-3-7-13/h4-5,8-9,13,20H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine?
N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine has a molecular weight of 367.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopentanamine is sourced from PubChem (CID 164609184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).