6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one

C17H14N2OS — CID 2725900

IUPAC6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one
SMILESO=C1N(c2ccccc2)/C(=N/c2ccccc2)SC12CC2
InChIInChI=1S/C17H14N2OS/c20-15-17(11-12-17)21-16(18-13-7-3-1-4-8-13)19(15)14-9-5-2-6-10-14/h1-10H,11-12H2/b18-16-
InChIKeyOTNRIIZSOATAEN-VLGSPTGOSA-N
MW294.38 g/mol
LogP3.99
Rot. Bonds2

About 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one

6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one (PubChem CID 2725900) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one
PubChem CID2725900
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one
SMILESO=C1N(c2ccccc2)/C(=N/c2ccccc2)SC12CC2
InChIInChI=1S/C17H14N2OS/c20-15-17(11-12-17)21-16(18-13-7-3-1-4-8-13)19(15)14-9-5-2-6-10-14/h1-10H,11-12H2/b18-16-
InChIKeyOTNRIIZSOATAEN-VLGSPTGOSA-N
XLogP3.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4-Dithiazolidin-3-one, 4-phenyl-5-(phenylimino)-
CID 220524
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
(2Z)-5-benzyl-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 3098751
3-(2-Fluorophenyl)-2-((2-fluorophenyl)imino)-1,3-thiazolidin-4-one
CID 331170
4(5H)-Thiazolone, 2-(diphenylamino)-
CID 90373
(2Z)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 341805
(4-Oxo-3-phenyl-2-phenylimino-thiazolidin-5-yl)-acetic acid
CID 648360
(5Z)-5-(cyclohexylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 25149225
(5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 25150685
2-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135408317
(2Z)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1380329
N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide
CID 809473

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one?
The IUPAC name of 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one (CID 2725900) is 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one is O=C1N(c2ccccc2)/C(=N/c2ccccc2)SC12CC2.
What is the InChIKey of 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one?
The InChIKey is OTNRIIZSOATAEN-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-15-17(11-12-17)21-16(18-13-7-3-1-4-8-13)19(15)14-9-5-2-6-10-14/h1-10H,11-12H2/b18-16-.
What are the key properties of 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one?
6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one has a molecular weight of 294.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-phenylimino-4-thia-6-azaspiro[2.4]heptan-7-one is sourced from PubChem (CID 2725900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).