1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone

C15H19N3OS — CID 47110924

IUPAC1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c1-11(17-7-9-18(10-8-17)12(2)19)15-16-13-5-3-4-6-14(13)20-15/h3-6,11H,7-10H2,1-2H3
InChIKeyRBSBNPRXDOCGLE-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.52
Rot. Bonds2

About 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone

1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 47110924) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID47110924
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c1-11(17-7-9-18(10-8-17)12(2)19)15-16-13-5-3-4-6-14(13)20-15/h3-6,11H,7-10H2,1-2H3
InChIKeyRBSBNPRXDOCGLE-UHFFFAOYSA-N
XLogP2.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56810069
[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95590599
(2R)-N-(1-adamantyl)-2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 30735493
3-[3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 46638082
[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 31422853
[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 31422852
5-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2-chloro-N-methylbenzenesulfonamide
CID 39966504
ethyl N-[1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46492355
N-[3-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 31424059
benzyl N-[(2R)-1-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 39969779
[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 46612618
2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide
CID 30621769

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone (CID 47110924) is 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(C)c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is RBSBNPRXDOCGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(17-7-9-18(10-8-17)12(2)19)15-16-13-5-3-4-6-14(13)20-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 289.40 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 47110924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).