N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

C9H14N2O2S2 — CID 110855175

IUPACN,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)CSC1=S
InChIInChI=1S/C9H14N2O2S2/c1-3-10(4-2)7(12)5-11-8(13)6-15-9(11)14/h3-6H2,1-2H3
InChIKeyKXJLNDBQANETDF-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.72
Rot. Bonds4

About N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 110855175) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID110855175
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC NameN,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)CSC1=S
InChIInChI=1S/C9H14N2O2S2/c1-3-10(4-2)7(12)5-11-8(13)6-15-9(11)14/h3-6H2,1-2H3
InChIKeyKXJLNDBQANETDF-UHFFFAOYSA-N
XLogP0.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide 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 N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 110855175) is N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is CCN(CC)C(=O)CN1C(=O)CSC1=S.
What is the InChIKey of N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is KXJLNDBQANETDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-3-10(4-2)7(12)5-11-8(13)6-15-9(11)14/h3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 246.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 110855175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).