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

C18H16N2OS2 — CID 23988103

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCN(C)c1ccc(C=C2SC(=O)N(c3ccccc3)C2=S)cc1
InChIInChI=1S/C18H16N2OS2/c1-19(2)14-10-8-13(9-11-14)12-16-17(22)20(18(21)23-16)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGMMWVIXZJLZZGC-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.79
Rot. Bonds3

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

5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 23988103) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID23988103
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCN(C)c1ccc(C=C2SC(=O)N(c3ccccc3)C2=S)cc1
InChIInChI=1S/C18H16N2OS2/c1-19(2)14-10-8-13(9-11-14)12-16-17(22)20(18(21)23-16)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGMMWVIXZJLZZGC-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(4-anilinophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713710
(5Z)-3-(2-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126074640
3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2874189
(5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 7559652
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2296493
(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354361
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(3,4-dimethylphenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5456452
2-carboxy-5-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenolate
CID 54686952
5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23740525
(5Z)-5-[[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 124583599
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126356554
(5E)-3-acetyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6378720

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one (CID 23988103) is 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one is CN(C)c1ccc(C=C2SC(=O)N(c3ccccc3)C2=S)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is GMMWVIXZJLZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-19(2)14-10-8-13(9-11-14)12-16-17(22)20(18(21)23-16)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one?
5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 340.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 23988103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).