N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide

C13H14N4O2S — CID 43327538

IUPACN-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1nc2ccccc2s1)C(=O)N1CCNCC1
InChIInChI=1S/C13H14N4O2S/c18-11(12(19)17-7-5-14-6-8-17)16-13-15-9-3-1-2-4-10(9)20-13/h1-4,14H,5-8H2,(H,15,16,18)
InChIKeyVEMPEOPGJCDUAU-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.67
Rot. Bonds1

About N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide

N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 43327538) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID43327538
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1nc2ccccc2s1)C(=O)N1CCNCC1
InChIInChI=1S/C13H14N4O2S/c18-11(12(19)17-7-5-14-6-8-17)16-13-15-9-3-1-2-4-10(9)20-13/h1-4,14H,5-8H2,(H,15,16,18)
InChIKeyVEMPEOPGJCDUAU-UHFFFAOYSA-N
XLogP0.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide 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

N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547309
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
(E)-3-amino-N-(1,3-benzothiazol-2-yl)-2-[1-[4-(1,4-diazepane-1-carbonyl)phenyl]prop-2-enylideneamino]but-2-enamide
CID 135269996
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
3-(1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]urea
CID 24852534
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
1-(1,3-benzothiazol-2-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47018268

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide (CID 43327538) is N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide is O=C(Nc1nc2ccccc2s1)C(=O)N1CCNCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is VEMPEOPGJCDUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-11(12(19)17-7-5-14-6-8-17)16-13-15-9-3-1-2-4-10(9)20-13/h1-4,14H,5-8H2,(H,15,16,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide?
N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 290.35 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43327538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).