(5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

C17H14N2OS — CID 135405771

IUPAC(5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3)S2)cc1
InChIInChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)18-17-19-16(20)15(21-17)11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/b15-11+
InChIKeyVVNCDVQAXGQGQY-RVDMUPIBSA-N
MW294.38 g/mol
LogP3.89
Rot. Bonds2

About (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135405771) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135405771
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3)S2)cc1
InChIInChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)18-17-19-16(20)15(21-17)11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/b15-11+
InChIKeyVVNCDVQAXGQGQY-RVDMUPIBSA-N
XLogP3.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.89
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 (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135405771) is (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3)S2)cc1.
What is the InChIKey of (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is VVNCDVQAXGQGQY-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)18-17-19-16(20)15(21-17)11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/b15-11+.
What are the key properties of (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135405771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).