2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

C7H12N2OS2 — CID 126554735

IUPAC2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCN(C)CC(=O)N1CCSC1=S
InChIInChI=1S/C7H12N2OS2/c1-8(2)5-6(10)9-3-4-12-7(9)11/h3-5H2,1-2H3
InChIKeyZQQAVULUNGOBFI-UHFFFAOYSA-N
MW204.32 g/mol
LogP0.41
Rot. Bonds2

About 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone

2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 126554735) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID126554735
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
SMILESCN(C)CC(=O)N1CCSC1=S
InChIInChI=1S/C7H12N2OS2/c1-8(2)5-6(10)9-3-4-12-7(9)11/h3-5H2,1-2H3
InChIKeyZQQAVULUNGOBFI-UHFFFAOYSA-N
XLogP0.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone (CID 126554735) is 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is CN(C)CC(=O)N1CCSC1=S.
What is the InChIKey of 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is ZQQAVULUNGOBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-8(2)5-6(10)9-3-4-12-7(9)11/h3-5H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone?
2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 204.32 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 126554735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).