3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one

C5H6N2O2S2 — CID 3482243

IUPAC3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(N=O)SC1=S
InChIInChI=1S/C5H6N2O2S2/c1-2-7-4(8)3(6-9)11-5(7)10/h3H,2H2,1H3
InChIKeyFEDKTCGNJJOPRO-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.96
Rot. Bonds2

About 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one

3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3482243) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3482243
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(N=O)SC1=S
InChIInChI=1S/C5H6N2O2S2/c1-2-7-4(8)3(6-9)11-5(7)10/h3H,2H2,1H3
InChIKeyFEDKTCGNJJOPRO-UHFFFAOYSA-N
XLogP0.96
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethyl-5-nitroso-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

3-[2-(Dimethylamino)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2052601
3-Ethyl-5-isothiocyanato-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87696845
2-(Dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 126554735
N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 155194190
(5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7340125
(5S)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7340126
N-methoxy-N-methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)acetamide
CID 91623532
N,N-diethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 110855175

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3482243) is 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)C(N=O)SC1=S.
What is the InChIKey of 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FEDKTCGNJJOPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c1-2-7-4(8)3(6-9)11-5(7)10/h3H,2H2,1H3.
What are the key properties of 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one?
3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 190.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3482243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).