2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide

C9H14N2O2S2 — CID 17033520

IUPAC2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)C(C)SC1=S
InChIInChI=1S/C9H14N2O2S2/c1-5(2)10-7(12)4-11-8(13)6(3)15-9(11)14/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyOGVUYTQWNFKBMG-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.76
Rot. Bonds3

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

2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide (PubChem CID 17033520) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
PubChem CID17033520
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)C(C)SC1=S
InChIInChI=1S/C9H14N2O2S2/c1-5(2)10-7(12)4-11-8(13)6(3)15-9(11)14/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyOGVUYTQWNFKBMG-UHFFFAOYSA-N
XLogP0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.76
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 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide (CID 17033520) is 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)C(C)SC1=S.
What is the InChIKey of 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is OGVUYTQWNFKBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-5(2)10-7(12)4-11-8(13)6(3)15-9(11)14/h5-6H,4H2,1-3H3,(H,10,12).
What are the key properties of 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide?
2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 246.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 17033520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).