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

C17H14N2OS — CID 135720038

IUPAC(5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1ccc(/N=C2\NC(=O)S\C2=C/c2ccccc2)cc1
InChIInChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)18-16-15(21-17(20)19-16)11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/b15-11-
InChIKeyNGIOJRXZYMYTPT-PTNGSMBKSA-N
MW294.38 g/mol
LogP4.52
Rot. Bonds2

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

(5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135720038) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135720038
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1ccc(/N=C2\NC(=O)S\C2=C/c2ccccc2)cc1
InChIInChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)18-16-15(21-17(20)19-16)11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/b15-11-
InChIKeyNGIOJRXZYMYTPT-PTNGSMBKSA-N
XLogP4.52
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 ≤ 54.52
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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Related Compounds

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
2-p-Tolylamino-thiazol-4-one
CID 135411781
5-[(4-Methylphenyl)methylene]-2-(phenylamino)-4(5h)-thiazolone
CID 135580376
(Z)-4-(p-tolylimino)thiazolidin-2-one
CID 135399106
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
5-[[4-(Dimethylamino)phenyl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135540618
(Z)-4-(m-tolylimino)thiazolidin-2-one
CID 135399114
(4E,5Z)-5-(2-chlorobenzylidene)-4-[(4-methylphenyl)imino]-1,3-thiazolidin-2-one
CID 135537879
4-Thiazolidinone, 2-((4-methylphenyl)imino)-5-(phenylmethylene)-
CID 135405771
(E)-2-((4-fluorophenyl)amino)-5-((E)-2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135426075
4(5H)-Thiazolone, 5-[(4-methylphenyl)methylene]-2-(phenylamino)-
CID 135456978
5-Benzylidene-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135403089

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one (CID 135720038) is (5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one is Cc1ccc(/N=C2\NC(=O)S\C2=C/c2ccccc2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is NGIOJRXZYMYTPT-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)18-16-15(21-17(20)19-16)11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/b15-11-.
What are the key properties of (5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one?
(5Z)-5-benzylidene-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 294.38 g/mol, XLogP of 4.52, 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-(4-methylphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135720038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).