3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine

C8H14N2OS3 — CID 174310431

IUPAC3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine
SMILESC1CSCN1.CCN1C(=O)CSC1=S
InChIInChI=1S/C5H7NOS2.C3H7NS/c1-2-6-4(7)3-9-5(6)8;1-2-5-3-4-1/h2-3H2,1H3;4H,1-3H2
InChIKeyQFOJKABUXDTUAI-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.15
Rot. Bonds1

About 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine

3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine (PubChem CID 174310431) has the molecular formula C8H14N2OS3 and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine.

Molecular Properties

Compound Name3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine
PubChem CID174310431
Molecular FormulaC8H14N2OS3
Molecular Weight250.41 g/mol
Exact Mass250.03
IUPAC Name3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine
SMILESC1CSCN1.CCN1C(=O)CSC1=S
InChIInChI=1S/C5H7NOS2.C3H7NS/c1-2-6-4(7)3-9-5(6)8;1-2-5-3-4-1/h2-3H2,1H3;4H,1-3H2
InChIKeyQFOJKABUXDTUAI-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine?
The IUPAC name of 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine (CID 174310431) is 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine.
What is the SMILES notation for 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine?
The canonical SMILES for 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine is C1CSCN1.CCN1C(=O)CSC1=S.
What is the InChIKey of 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine?
The InChIKey is QFOJKABUXDTUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS2.C3H7NS/c1-2-6-4(7)3-9-5(6)8;1-2-5-3-4-1/h2-3H2,1H3;4H,1-3H2.
What are the key properties of 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine?
3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine has a molecular weight of 250.41 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;1,3-thiazolidine is sourced from PubChem (CID 174310431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).