7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

C17H15N3O3S — CID 70757135

IUPAC7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)c3csc(-c4ccccc4)n3)C2)C(=O)N1
InChIInChI=1S/C17H15N3O3S/c21-13-8-17(16(23)19-13)6-7-20(10-17)15(22)12-9-24-14(18-12)11-4-2-1-3-5-11/h1-5,9H,6-8,10H2,(H,19,21,23)
InChIKeyJFJVPYNOUUDEOM-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.69
Rot. Bonds2

About 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70757135) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70757135
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)c3csc(-c4ccccc4)n3)C2)C(=O)N1
InChIInChI=1S/C17H15N3O3S/c21-13-8-17(16(23)19-13)6-7-20(10-17)15(22)12-9-24-14(18-12)11-4-2-1-3-5-11/h1-5,9H,6-8,10H2,(H,19,21,23)
InChIKeyJFJVPYNOUUDEOM-UHFFFAOYSA-N
XLogP1.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.69
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 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70757135) is 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCN(C(=O)c3csc(-c4ccccc4)n3)C2)C(=O)N1.
What is the InChIKey of 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is JFJVPYNOUUDEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-13-8-17(16(23)19-13)6-7-20(10-17)15(22)12-9-24-14(18-12)11-4-2-1-3-5-11/h1-5,9H,6-8,10H2,(H,19,21,23).
What are the key properties of 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 341.39 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70757135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).