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

C10H10N2OS3 — CID 2421404

IUPAC(5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\SC(=S)NC2=O)s1
InChIInChI=1S/C10H10N2OS3/c1-12(2)8-4-3-6(15-8)5-7-9(13)11-10(14)16-7/h3-5H,1-2H3,(H,11,13,14)/b7-5-
InChIKeyDZGVNMQALFEYRG-ALCCZGGFSA-N
MW270.40 g/mol
LogP2.30
Rot. Bonds2

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

(5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2421404) has the molecular formula C10H10N2OS3 and a molecular weight of 270.40 g/mol. Its IUPAC name is (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2421404
Molecular FormulaC10H10N2OS3
Molecular Weight270.40 g/mol
Exact Mass270.00
IUPAC Name(5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\SC(=S)NC2=O)s1
InChIInChI=1S/C10H10N2OS3/c1-12(2)8-4-3-6(15-8)5-7-9(13)11-10(14)16-7/h3-5H,1-2H3,(H,11,13,14)/b7-5-
InChIKeyDZGVNMQALFEYRG-ALCCZGGFSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2421404) is (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=C2\SC(=S)NC2=O)s1.
What is the InChIKey of (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is DZGVNMQALFEYRG-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10N2OS3/c1-12(2)8-4-3-6(15-8)5-7-9(13)11-10(14)16-7/h3-5H,1-2H3,(H,11,13,14)/b7-5-.
What are the key properties of (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 270.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(dimethylamino)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2421404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).