3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide

C11H18N2O2S2 — CID 17033691

IUPAC3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide
SMILESCCC1SC(=S)N(CCC(=O)NC(C)C)C1=O
InChIInChI=1S/C11H18N2O2S2/c1-4-8-10(15)13(11(16)17-8)6-5-9(14)12-7(2)3/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyCQWULWMGPVOKHO-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.54
Rot. Bonds5

About 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide

3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide (PubChem CID 17033691) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide
PubChem CID17033691
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide
SMILESCCC1SC(=S)N(CCC(=O)NC(C)C)C1=O
InChIInChI=1S/C11H18N2O2S2/c1-4-8-10(15)13(11(16)17-8)6-5-9(14)12-7(2)3/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyCQWULWMGPVOKHO-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide (CID 17033691) is 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide is CCC1SC(=S)N(CCC(=O)NC(C)C)C1=O.
What is the InChIKey of 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide?
The InChIKey is CQWULWMGPVOKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-4-8-10(15)13(11(16)17-8)6-5-9(14)12-7(2)3/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide?
3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 17033691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).