(5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H10N2OS2 — CID 1206896

IUPAC(5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1cc(/C=C2\SC(=S)NC2=O)c(C)[nH]1
InChIInChI=1S/C10H10N2OS2/c1-5-3-7(6(2)11-5)4-8-9(13)12-10(14)15-8/h3-4,11H,1-2H3,(H,12,13,14)/b8-4-
InChIKeyYNRINJTUILGZIP-YWEYNIOJSA-N
MW238.34 g/mol
LogP2.12
Rot. Bonds1

About (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1206896) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1206896
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name(5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1cc(/C=C2\SC(=S)NC2=O)c(C)[nH]1
InChIInChI=1S/C10H10N2OS2/c1-5-3-7(6(2)11-5)4-8-9(13)12-10(14)15-8/h3-4,11H,1-2H3,(H,12,13,14)/b8-4-
InChIKeyYNRINJTUILGZIP-YWEYNIOJSA-N
XLogP2.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
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'}

Analyze (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1206896) is (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1cc(/C=C2\SC(=S)NC2=O)c(C)[nH]1.
What is the InChIKey of (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YNRINJTUILGZIP-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-5-3-7(6(2)11-5)4-8-9(13)12-10(14)15-8/h3-4,11H,1-2H3,(H,12,13,14)/b8-4-.
What are the key properties of (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 238.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1206896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).