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

C17H16N2OS — CID 1244300

IUPAC3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\SCC(=O)N2c2cccc(C)c2)c1
InChIInChI=1S/C17H16N2OS/c1-12-5-3-7-14(9-12)18-17-19(16(20)11-21-17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3/b18-17-
InChIKeyDJFUIYLGWKSTLM-ZCXUNETKSA-N
MW296.40 g/mol
LogP4.07
Rot. Bonds2

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

3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 1244300) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID1244300
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=C2\SCC(=O)N2c2cccc(C)c2)c1
InChIInChI=1S/C17H16N2OS/c1-12-5-3-7-14(9-12)18-17-19(16(20)11-21-17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3/b18-17-
InChIKeyDJFUIYLGWKSTLM-ZCXUNETKSA-N
XLogP4.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one (CID 1244300) is 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\SCC(=O)N2c2cccc(C)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is DJFUIYLGWKSTLM-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-5-3-7-14(9-12)18-17-19(16(20)11-21-17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3/b18-17-.
What are the key properties of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one?
3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 296.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1244300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).