(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one

C18H16N2OS2 — CID 135490206

IUPAC(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCSc1ccc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1
InChIInChI=1S/C18H16N2OS2/c1-12-5-3-4-6-15(12)19-18-20-17(21)16(23-18)11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,19,20,21)/b16-11-
InChIKeyHMUBJFVYJBWAEI-WJDWOHSUSA-N
MW340.47 g/mol
LogP4.61
Rot. Bonds3

About (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135490206) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135490206
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCSc1ccc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1
InChIInChI=1S/C18H16N2OS2/c1-12-5-3-4-6-15(12)19-18-20-17(21)16(23-18)11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,19,20,21)/b16-11-
InChIKeyHMUBJFVYJBWAEI-WJDWOHSUSA-N
XLogP4.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135448778
(5E)-5-[(3-bromophenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404457
(5Z)-2-(2-methylphenyl)imino-5-[(2,4,5-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137089313
2-(2-methylphenyl)imino-5-[(4-octoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135416660
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one
CID 137165922
(5E)-5-[(4-fluorophenyl)methylidene]-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063297
(5E)-2-(2-methylphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 135745036
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]imino-1,3-thiazolidin-4-one
CID 137165917
5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135523119
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755
5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135523277

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135490206) is (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one is CSc1ccc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1.
What is the InChIKey of (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is HMUBJFVYJBWAEI-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-12-5-3-4-6-15(12)19-18-20-17(21)16(23-18)11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,19,20,21)/b16-11-.
What are the key properties of (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 340.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-methylphenyl)imino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135490206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).