3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one

C9H7N3OS2 — CID 2731306

IUPAC3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1N=Cc1cccnc1
InChIInChI=1S/C9H7N3OS2/c13-8-6-15-9(14)12(8)11-5-7-2-1-3-10-4-7/h1-5H,6H2
InChIKeyFZAAUTBSWARWQN-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.28
Rot. Bonds2

About 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2731306) has the molecular formula C9H7N3OS2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2731306
Molecular FormulaC9H7N3OS2
Molecular Weight237.31 g/mol
Exact Mass237.00
IUPAC Name3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1N=Cc1cccnc1
InChIInChI=1S/C9H7N3OS2/c13-8-6-15-9(14)12(8)11-5-7-2-1-3-10-4-7/h1-5H,6H2
InChIKeyFZAAUTBSWARWQN-UHFFFAOYSA-N
XLogP1.28
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(pyridin-3-ylmethylideneamino)-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

Related Compounds

5-(pyridin-3-ylmethylidene)-3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3394031
3-[(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1352277
3-[(3,4-dihydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4757749
3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19589267
3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 51851921
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19589115
6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one
CID 172942188
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135478875
(2Z)-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135529664
[2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]phenyl] furan-2-carboxylate
CID 23934391
3-[(E)-[2-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126351183

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2731306) is 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1N=Cc1cccnc1.
What is the InChIKey of 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FZAAUTBSWARWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS2/c13-8-6-15-9(14)12(8)11-5-7-2-1-3-10-4-7/h1-5H,6H2.
What are the key properties of 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 237.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2731306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).