N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide

C25H30N4OS — CID 91497065

IUPACN-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccccc1CCN1CCN(c2nsc3ccccc23)CC1)C1CCCC1
InChIInChI=1S/C25H30N4OS/c30-25(20-8-1-2-9-20)26-22-11-5-3-7-19(22)13-14-28-15-17-29(18-16-28)24-21-10-4-6-12-23(21)31-27-24/h3-7,10-12,20H,1-2,8-9,13-18H2,(H,26,30)
InChIKeyLOUBUFPHGSHFSQ-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.79
Rot. Bonds6

About N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide

N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide (PubChem CID 91497065) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide
PubChem CID91497065
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC NameN-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccccc1CCN1CCN(c2nsc3ccccc23)CC1)C1CCCC1
InChIInChI=1S/C25H30N4OS/c30-25(20-8-1-2-9-20)26-22-11-5-3-7-19(22)13-14-28-15-17-29(18-16-28)24-21-10-4-6-12-23(21)31-27-24/h3-7,10-12,20H,1-2,8-9,13-18H2,(H,26,30)
InChIKeyLOUBUFPHGSHFSQ-UHFFFAOYSA-N
XLogP4.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 91201499
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 91069215
3-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohex-3-en-1-yl]-1,1-dimethylurea
CID 156704328
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2-hydrazinylbenzamide;hydrate;dihydrochloride
CID 67885546
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
3-[4-[4-(3-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 174338775
2-methylpropyl N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]carbamate
CID 91570648
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3,3-difluoroazetidine-1-carboxamide
CID 156704392
(3aR,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-7a-hydroxy-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione
CID 102254147
(2R)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2,3-dihydro-1H-indol-2-ol
CID 59116256
1-[7-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 11495771
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 134135507

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide (CID 91497065) is N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccccc1CCN1CCN(c2nsc3ccccc23)CC1)C1CCCC1.
What is the InChIKey of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is LOUBUFPHGSHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS/c30-25(20-8-1-2-9-20)26-22-11-5-3-7-19(22)13-14-28-15-17-29(18-16-28)24-21-10-4-6-12-23(21)31-27-24/h3-7,10-12,20H,1-2,8-9,13-18H2,(H,26,30).
What are the key properties of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide?
N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 434.61 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 91497065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).