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

C12H12N2OS2 — CID 23740525

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCN(C)c1ccc(C=C2SC(=O)NC2=S)cc1
InChIInChI=1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(16)13-12(15)17-10/h3-7H,1-2H3,(H,13,15,16)
InChIKeyWZJCBKWAYFUVCJ-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.88
Rot. Bonds2

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

5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 23740525) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID23740525
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESCN(C)c1ccc(C=C2SC(=O)NC2=S)cc1
InChIInChI=1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(16)13-12(15)17-10/h3-7H,1-2H3,(H,13,15,16)
InChIKeyWZJCBKWAYFUVCJ-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
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

(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1365504
(5Z)-5-[(4-nitrophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 7454864
3-tert-butyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4515150
(5E)-3-acetyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6378720
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2-hydroxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27409381
(2E,5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135648181
5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2829176
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841106
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23988103
(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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one (CID 23740525) is 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is CN(C)c1ccc(C=C2SC(=O)NC2=S)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is WZJCBKWAYFUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(16)13-12(15)17-10/h3-7H,1-2H3,(H,13,15,16).
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one?
5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 264.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 23740525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).