2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione

C15H15N3O2S — CID 146198274

IUPAC2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3nc4ccccc4s3)C2)C(=O)N1
InChIInChI=1S/C15H15N3O2S/c19-12-5-6-15(13(20)17-12)7-8-18(9-15)14-16-10-3-1-2-4-11(10)21-14/h1-4H,5-9H2,(H,17,19,20)
InChIKeyYVQKTFGXZGHQOQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.93
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione

2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione (PubChem CID 146198274) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione
PubChem CID146198274
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3nc4ccccc4s3)C2)C(=O)N1
InChIInChI=1S/C15H15N3O2S/c19-12-5-6-15(13(20)17-12)7-8-18(9-15)14-16-10-3-1-2-4-11(10)21-14/h1-4H,5-9H2,(H,17,19,20)
InChIKeyYVQKTFGXZGHQOQ-UHFFFAOYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione (CID 146198274) is 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione is O=C1CCC2(CCN(c3nc4ccccc4s3)C2)C(=O)N1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The InChIKey is YVQKTFGXZGHQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-12-5-6-15(13(20)17-12)7-8-18(9-15)14-16-10-3-1-2-4-11(10)21-14/h1-4H,5-9H2,(H,17,19,20).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione?
2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione has a molecular weight of 301.37 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione is sourced from PubChem (CID 146198274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).