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

C18H16N2OS — CID 135486627

IUPAC2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)C(=Cc3ccccc3C)S2)c1
InChIInChI=1S/C18H16N2OS/c1-12-6-5-9-15(10-12)19-18-20-17(21)16(22-18)11-14-8-4-3-7-13(14)2/h3-11H,1-2H3,(H,19,20,21)
InChIKeyQTOKBZAYTOTCEM-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.20
Rot. Bonds2

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

2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135486627) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135486627
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2/NC(=O)C(=Cc3ccccc3C)S2)c1
InChIInChI=1S/C18H16N2OS/c1-12-6-5-9-15(10-12)19-18-20-17(21)16(22-18)11-14-8-4-3-7-13(14)2/h3-11H,1-2H3,(H,19,20,21)
InChIKeyQTOKBZAYTOTCEM-UHFFFAOYSA-N
XLogP4.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.20
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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Related Compounds

5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135841138
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135810389
5-[(1-methylindol-3-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135491642
(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135707672
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135617916
5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135543215
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137044398
2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135457268
(5Z)-2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135770918
5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135402484
(5Z)-5-[(2-chlorophenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135602956

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135486627) is 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1cccc(/N=C2/NC(=O)C(=Cc3ccccc3C)S2)c1.
What is the InChIKey of 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QTOKBZAYTOTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-12-6-5-9-15(10-12)19-18-20-17(21)16(22-18)11-14-8-4-3-7-13(14)2/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 308.41 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135486627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).