5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C18H16N2OS2 — CID 173393272

IUPAC5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN(C)C(=C1SC(=S)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H16N2OS2/c1-19(2)15(13-9-5-3-6-10-13)16-17(21)20(18(22)23-16)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyXGYSFILUMKHHOJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.98
Rot. Bonds3

About 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 173393272) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID173393272
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN(C)C(=C1SC(=S)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H16N2OS2/c1-19(2)15(13-9-5-3-6-10-13)16-17(21)20(18(22)23-16)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyXGYSFILUMKHHOJ-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-(1-ethoxypropylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 86733634
(5Z)-5-(dimethylaminomethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2732120
(2E)-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetic acid
CID 34552324
(5E)-5-(3-oxo-2-benzofuran-1-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5374480
3-phenyl-5-(4-phenyldiazenylphenyl)imino-2-sulfanylidene-1,3-thiazolidin-4-one
CID 132560313
5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3469157
(5Z)-5-[1-(3-hydroxyphenyl)ethylidene]-3-naphthalen-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1331860
3-(3-acetylphenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515365
3-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
CID 50873206
(5E)-5-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5472509
methyl 4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 1383995
N-[2-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
CID 2937852

Frequently Asked Questions

What is the IUPAC name of 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 173393272) is 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is CN(C)C(=C1SC(=S)N(c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is XGYSFILUMKHHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-19(2)15(13-9-5-3-6-10-13)16-17(21)20(18(22)23-16)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 340.47 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethylamino(phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 173393272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).