N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

C7H10N2O2S2 — CID 155194190

IUPACN,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCN(C)C(=O)CN1C(=O)CSC1=S
InChIInChI=1S/C7H10N2O2S2/c1-8(2)5(10)3-9-6(11)4-13-7(9)12/h3-4H2,1-2H3
InChIKeyZEJFHZXCOCEELK-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.07
Rot. Bonds2

About N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 155194190) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID155194190
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC NameN,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCN(C)C(=O)CN1C(=O)CSC1=S
InChIInChI=1S/C7H10N2O2S2/c1-8(2)5(10)3-9-6(11)4-13-7(9)12/h3-4H2,1-2H3
InChIKeyZEJFHZXCOCEELK-UHFFFAOYSA-N
XLogP-0.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
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 N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 155194190) is N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is CN(C)C(=O)CN1C(=O)CSC1=S.
What is the InChIKey of N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ZEJFHZXCOCEELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-8(2)5(10)3-9-6(11)4-13-7(9)12/h3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 218.30 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 155194190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).