1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone

C13H15N3OS — CID 153084897

IUPAC1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
SMILESCC(=O)c1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C13H15N3OS/c1-9(17)10-2-3-11-12(8-10)18-13(15-11)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3
InChIKeyVNZZORDSWMWROE-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.91
Rot. Bonds2

About 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone

1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone (PubChem CID 153084897) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
PubChem CID153084897
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
SMILESCC(=O)c1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C13H15N3OS/c1-9(17)10-2-3-11-12(8-10)18-13(15-11)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3
InChIKeyVNZZORDSWMWROE-UHFFFAOYSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]ethanone
CID 141421140
1-(2-bromo-1,3-benzothiazol-6-yl)ethanone;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole-6-carboxylic acid;1-[2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazol-6-yl]ethanone;methane
CID 157360583
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
6-bromo-2-piperazin-1-yl-1,3-benzothiazole
CID 42281675
but-2-enedioic acid;6-chloro-2-piperazin-1-yl-1,3-benzothiazole
CID 68654648
(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-acetylbenzoate
CID 8611178
1-(2-bromo-1,3-benzothiazol-6-yl)ethanone
CID 11673296
N-(3,4-dihydro-2H-chromen-4-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
CID 171466726
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
6-butyl-2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 82020498
N-(4-cyano-2,3-dihydro-1H-inden-1-yl)-2-piperazin-1-yl-1,3-benzothiazole-6-carboxamide
CID 174203775

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone?
The IUPAC name of 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone (CID 153084897) is 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone.
What is the SMILES notation for 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone?
The canonical SMILES for 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone is CC(=O)c1ccc2nc(N3CCNCC3)sc2c1.
What is the InChIKey of 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone?
The InChIKey is VNZZORDSWMWROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(17)10-2-3-11-12(8-10)18-13(15-11)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone?
1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone has a molecular weight of 261.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone is sourced from PubChem (CID 153084897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).