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

C13H17N5OS — CID 50882386

IUPAC1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc3sc(NN)nc23)CC1
InChIInChI=1S/C13H17N5OS/c1-9(19)17-5-7-18(8-6-17)10-3-2-4-11-12(10)15-13(16-14)20-11/h2-4H,5-8,14H2,1H3,(H,15,16)
InChIKeyVQPXNEGTDXMDGR-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.25
Rot. Bonds2

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

1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 50882386) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone
PubChem CID50882386
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc3sc(NN)nc23)CC1
InChIInChI=1S/C13H17N5OS/c1-9(19)17-5-7-18(8-6-17)10-3-2-4-11-12(10)15-13(16-14)20-11/h2-4H,5-8,14H2,1H3,(H,15,16)
InChIKeyVQPXNEGTDXMDGR-UHFFFAOYSA-N
XLogP1.25
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 7539562
(4-chloro-1,3-benzothiazol-2-yl)hydrazine
CID 2049837
1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80928222
1-[4-(6-hydrazinyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 80900082
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
2-propan-2-yl-4-pyrrolidin-1-yl-1,3-benzothiazole
CID 170688104
1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 113392458
2-(4-acetylpiperazin-1-yl)benzenesulfonamide
CID 166232580
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
1-[4-[2-(aminomethyl)-3-fluorophenyl]piperazin-1-yl]ethanone
CID 79516677
1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808850
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 1258046

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone (CID 50882386) is 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc3sc(NN)nc23)CC1.
What is the InChIKey of 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone?
The InChIKey is VQPXNEGTDXMDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9(19)17-5-7-18(8-6-17)10-3-2-4-11-12(10)15-13(16-14)20-11/h2-4H,5-8,14H2,1H3,(H,15,16).
What are the key properties of 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone?
1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 291.38 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydrazinyl-1,3-benzothiazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 50882386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).