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

C16H12N2OS — CID 6123445

IUPAC(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12N2OS/c17-16-18(13-9-5-2-6-10-13)15(19)14(20-16)11-12-7-3-1-4-8-12/h1-11,17H/b14-11-,17-16-
InChIKeyHDAHYTDRWQQMJA-SJKKTQPASA-N
MW280.35 g/mol
LogP3.74
Rot. Bonds2

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

(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 6123445) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
PubChem CID6123445
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H12N2OS/c17-16-18(13-9-5-2-6-10-13)15(19)14(20-16)11-12-7-3-1-4-8-12/h1-11,17H/b14-11-,17-16-
InChIKeyHDAHYTDRWQQMJA-SJKKTQPASA-N
XLogP3.74
TPSA44.16 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 ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one (CID 6123445) is (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is HDAHYTDRWQQMJA-SJKKTQPASA-N. The full InChI is InChI=1S/C16H12N2OS/c17-16-18(13-9-5-2-6-10-13)15(19)14(20-16)11-12-7-3-1-4-8-12/h1-11,17H/b14-11-,17-16-.
What are the key properties of (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 280.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6123445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).