3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

C10H12N2O2S2 — CID 581009

IUPAC3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCN1CCSC1=CC=C1OC(=S)N(C)C1=O
InChIInChI=1S/C10H12N2O2S2/c1-11-5-6-16-8(11)4-3-7-9(13)12(2)10(15)14-7/h3-4H,5-6H2,1-2H3
InChIKeyATNVRFYYFGXEIH-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.16
Rot. Bonds1

About 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 581009) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID581009
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCN1CCSC1=CC=C1OC(=S)N(C)C1=O
InChIInChI=1S/C10H12N2O2S2/c1-11-5-6-16-8(11)4-3-7-9(13)12(2)10(15)14-7/h3-4H,5-6H2,1-2H3
InChIKeyATNVRFYYFGXEIH-UHFFFAOYSA-N
XLogP1.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one (CID 581009) is 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one is CN1CCSC1=CC=C1OC(=S)N(C)C1=O.
What is the InChIKey of 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is ATNVRFYYFGXEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-11-5-6-16-8(11)4-3-7-9(13)12(2)10(15)14-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one?
3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 256.35 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 581009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).