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

C7H10N2O3S2 — CID 91623532

IUPACN-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCON(C)C(=O)CN1C(=O)CSC1=S
InChIInChI=1S/C7H10N2O3S2/c1-8(12-2)5(10)3-9-6(11)4-14-7(9)13/h3-4H2,1-2H3
InChIKeyDAFZHUNGCWILSE-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.13
Rot. Bonds3

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

N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 91623532) has the molecular formula C7H10N2O3S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID91623532
Molecular FormulaC7H10N2O3S2
Molecular Weight234.30 g/mol
Exact Mass234.01
IUPAC NameN-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCON(C)C(=O)CN1C(=O)CSC1=S
InChIInChI=1S/C7H10N2O3S2/c1-8(12-2)5(10)3-9-6(11)4-14-7(9)13/h3-4H2,1-2H3
InChIKeyDAFZHUNGCWILSE-UHFFFAOYSA-N
XLogP-0.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3482243
3-[2-(Dimethylamino)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2052601
N,N-dimethyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51110365
Trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium
CID 87422193
2-(Dimethylamino)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 126554735
N,N-dimethyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 155194190
Trimethyl-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]azanium chloride
CID 160159316
5-(Dimethylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carbaldehyde
CID 174446269
(5R)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7340125
(5S)-3-ethyl-5-nitroso-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7340126
N-ethoxy-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 52555844
N-methoxy-N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 60368742

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 91623532) is N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is CON(C)C(=O)CN1C(=O)CSC1=S.
What is the InChIKey of N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is DAFZHUNGCWILSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S2/c1-8(12-2)5(10)3-9-6(11)4-14-7(9)13/h3-4H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 234.30 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 91623532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).