(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one

C16H12N2OS — CID 135711750

IUPAC(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccccc2)/C(=C/c2ccccc2)S1
InChIInChI=1S/C16H12N2OS/c19-16-18-15(17-13-9-5-2-6-10-13)14(20-16)11-12-7-3-1-4-8-12/h1-11H,(H,17,18,19)/b14-11-
InChIKeyLRNOIDILWQPNPH-KAMYIIQDSA-N
MW280.35 g/mol
LogP4.21
Rot. Bonds2

About (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one

(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one (PubChem CID 135711750) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
PubChem CID135711750
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccccc2)/C(=C/c2ccccc2)S1
InChIInChI=1S/C16H12N2OS/c19-16-18-15(17-13-9-5-2-6-10-13)14(20-16)11-12-7-3-1-4-8-12/h1-11H,(H,17,18,19)/b14-11-
InChIKeyLRNOIDILWQPNPH-KAMYIIQDSA-N
XLogP4.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one (CID 135711750) is (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one is O=C1NC(=N\c2ccccc2)/C(=C/c2ccccc2)S1.
What is the InChIKey of (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one?
The InChIKey is LRNOIDILWQPNPH-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-16-18-15(17-13-9-5-2-6-10-13)14(20-16)11-12-7-3-1-4-8-12/h1-11H,(H,17,18,19)/b14-11-.
What are the key properties of (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one?
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one has a molecular weight of 280.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135711750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).