5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one

C17H14N2OS — CID 135538834

IUPAC5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/Cc2ccccc2)SC1=Cc1ccccc1
InChIInChI=1S/C17H14N2OS/c20-16-15(11-13-7-3-1-4-8-13)21-17(19-16)18-12-14-9-5-2-6-10-14/h1-11H,12H2,(H,18,19,20)
InChIKeyLVKAALLVKHHHGN-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.45
Rot. Bonds3

About 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one

5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one (PubChem CID 135538834) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one
PubChem CID135538834
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/Cc2ccccc2)SC1=Cc1ccccc1
InChIInChI=1S/C17H14N2OS/c20-16-15(11-13-7-3-1-4-8-13)21-17(19-16)18-12-14-9-5-2-6-10-14/h1-11H,12H2,(H,18,19,20)
InChIKeyLVKAALLVKHHHGN-UHFFFAOYSA-N
XLogP3.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one
CID 137216334
(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063495
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide
CID 173184377
(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
CID 137165844
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(5Z)-5-benzylidene-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135766043
5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486652
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
N-(5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 135408126
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one (CID 135538834) is 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/Cc2ccccc2)SC1=Cc1ccccc1.
What is the InChIKey of 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one?
The InChIKey is LVKAALLVKHHHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-16-15(11-13-7-3-1-4-8-13)21-17(19-16)18-12-14-9-5-2-6-10-14/h1-11H,12H2,(H,18,19,20).
What are the key properties of 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one?
5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135538834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).