5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde

C6H8N2O2S2 — CID 174446269

IUPAC5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde
SMILESCN(C)C1SC(=S)N(C=O)C1=O
InChIInChI=1S/C6H8N2O2S2/c1-7(2)5-4(10)8(3-9)6(11)12-5/h3,5H,1-2H3
InChIKeyGCDSRZHPFJKLHJ-UHFFFAOYSA-N
MW204.28 g/mol
LogP-0.11
Rot. Bonds2

About 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde

5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde (PubChem CID 174446269) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde
PubChem CID174446269
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Name5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde
SMILESCN(C)C1SC(=S)N(C=O)C1=O
InChIInChI=1S/C6H8N2O2S2/c1-7(2)5-4(10)8(3-9)6(11)12-5/h3,5H,1-2H3
InChIKeyGCDSRZHPFJKLHJ-UHFFFAOYSA-N
XLogP-0.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde (CID 174446269) is 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde is CN(C)C1SC(=S)N(C=O)C1=O.
What is the InChIKey of 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde?
The InChIKey is GCDSRZHPFJKLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-7(2)5-4(10)8(3-9)6(11)12-5/h3,5H,1-2H3.
What are the key properties of 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde?
5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde has a molecular weight of 204.28 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde is sourced from PubChem (CID 174446269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).