2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione

C16H15N3O3S — CID 146198246

IUPAC2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(C(=O)c3ccc4scnc4c3)C2)C(=O)N1
InChIInChI=1S/C16H15N3O3S/c20-13-3-4-16(15(22)18-13)5-6-19(8-16)14(21)10-1-2-12-11(7-10)17-9-23-12/h1-2,7,9H,3-6,8H2,(H,18,20,22)
InChIKeyCPYVPIQYEVTFQP-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.57
Rot. Bonds1

About 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione

2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione (PubChem CID 146198246) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione.

Molecular Properties

Compound Name2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione
PubChem CID146198246
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(C(=O)c3ccc4scnc4c3)C2)C(=O)N1
InChIInChI=1S/C16H15N3O3S/c20-13-3-4-16(15(22)18-13)5-6-19(8-16)14(21)10-1-2-12-11(7-10)17-9-23-12/h1-2,7,9H,3-6,8H2,(H,18,20,22)
InChIKeyCPYVPIQYEVTFQP-UHFFFAOYSA-N
XLogP1.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione 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

2-(1,3-benzothiazol-2-ylmethyl)-1H,2''H,5''H-spiro[isoquinoline-4,3''-pyrrolidin
CID 10045960
2-[[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
CID 10072898
2-(1,3-Benzothiazol-2-ylmethyl)-6-fluorospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
CID 10250939
6-Fluoro-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
CID 10412732
1-(1,3-benzothiazol-5-yl)-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione
CID 11646862
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide
CID 20754424
1,3-Benzothiazol-6-yl(piperidin-1-yl)methanone
CID 6710452
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 1262356
(2-Methyl-1,3-benzothiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 3149505
1,3-Benzothiazol-6-yl-(3-methylpiperidin-1-yl)methanone
CID 4797567
[(3R,4R)-4-amino-1-(benzothiazole-6-carbonyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone
CID 44443297
1,3-Benzothiazol-6-yl-(3,5-dimethylpiperidin-1-yl)methanone
CID 3512248

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The IUPAC name of 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione (CID 146198246) is 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione.
What is the SMILES notation for 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The canonical SMILES for 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione is O=C1CCC2(CCN(C(=O)c3ccc4scnc4c3)C2)C(=O)N1.
What is the InChIKey of 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The InChIKey is CPYVPIQYEVTFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-13-3-4-16(15(22)18-13)5-6-19(8-16)14(21)10-1-2-12-11(7-10)17-9-23-12/h1-2,7,9H,3-6,8H2,(H,18,20,22).
What are the key properties of 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione?
2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione has a molecular weight of 329.38 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazole-5-carbonyl)-2,7-diazaspiro[4.5]decane-6,8-dione is sourced from PubChem (CID 146198246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).