3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one

C14H15NOS2 — CID 2864525

IUPAC3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C=C2SC(=S)N(C)C2=O)c(C)c1
InChIInChI=1S/C14H15NOS2/c1-8-5-9(2)11(10(3)6-8)7-12-13(16)15(4)14(17)18-12/h5-7H,1-4H3
InChIKeyFNOFIQWZYWJOPG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds1

About 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one

3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 2864525) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID2864525
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC Name3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C=C2SC(=S)N(C)C2=O)c(C)c1
InChIInChI=1S/C14H15NOS2/c1-8-5-9(2)11(10(3)6-8)7-12-13(16)15(4)14(17)18-12/h5-7H,1-4H3
InChIKeyFNOFIQWZYWJOPG-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-methyl-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1227392
(5Z)-5-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1322208
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252407
(5Z)-3-methyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1313152
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126076971
4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
CID 1200985
5-[(3,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2865365
(5Z)-3-methyl-5-[(4-methyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1312914
(5Z)-5-[(4-iodophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6285247
5-[(4-bromophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1353884
(5E)-5-[(5-methoxy-1,2-dimethylindol-3-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71708773
(5Z)-5-[(5-bromo-2-hydroxy-3-iodophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 44821061

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 2864525) is 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1cc(C)c(C=C2SC(=S)N(C)C2=O)c(C)c1.
What is the InChIKey of 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is FNOFIQWZYWJOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c1-8-5-9(2)11(10(3)6-8)7-12-13(16)15(4)14(17)18-12/h5-7H,1-4H3.
What are the key properties of 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one?
3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 277.41 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2864525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).