(5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

C9H7NOS3 — CID 2260484

IUPAC(5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccsc2)SC1=S
InChIInChI=1S/C9H7NOS3/c1-10-8(11)7(14-9(10)12)4-6-2-3-13-5-6/h2-5H,1H3/b7-4+
InChIKeyIQNKLDAUEWGKLV-QPJJXVBHSA-N
MW241.36 g/mol
LogP2.58
Rot. Bonds1

About (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 2260484) has the molecular formula C9H7NOS3 and a molecular weight of 241.36 g/mol. Its IUPAC name is (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID2260484
Molecular FormulaC9H7NOS3
Molecular Weight241.36 g/mol
Exact Mass240.97
IUPAC Name(5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccsc2)SC1=S
InChIInChI=1S/C9H7NOS3/c1-10-8(11)7(14-9(10)12)4-6-2-3-13-5-6/h2-5H,1H3/b7-4+
InChIKeyIQNKLDAUEWGKLV-QPJJXVBHSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.58
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'}

Analyze (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-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 (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 2260484) is (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2ccsc2)SC1=S.
What is the InChIKey of (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is IQNKLDAUEWGKLV-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H7NOS3/c1-10-8(11)7(14-9(10)12)4-6-2-3-13-5-6/h2-5H,1H3/b7-4+.
What are the key properties of (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 241.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2260484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).