N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide

C12H12N2O3S2 — CID 25220287

IUPACN-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCOc1ccccc1NC(=O)CC1SC(=S)NC1=O
InChIInChI=1S/C12H12N2O3S2/c1-17-8-5-3-2-4-7(8)13-10(15)6-9-11(16)14-12(18)19-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,18)
InChIKeyJLKQIYYBGFERCX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.54
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide

N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (PubChem CID 25220287) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
PubChem CID25220287
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC NameN-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
SMILESCOc1ccccc1NC(=O)CC1SC(=S)NC1=O
InChIInChI=1S/C12H12N2O3S2/c1-17-8-5-3-2-4-7(8)13-10(15)6-9-11(16)14-12(18)19-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,18)
InChIKeyJLKQIYYBGFERCX-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(2-ethoxyphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020279
2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 93020325
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(2-bromophenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020213
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940
2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 23905261
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135692137
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25220247
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135725287
N-(2-methoxyphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135779978
N-(2-methoxyphenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1112331

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide (CID 25220287) is N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is COc1ccccc1NC(=O)CC1SC(=S)NC1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is JLKQIYYBGFERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-17-8-5-3-2-4-7(8)13-10(15)6-9-11(16)14-12(18)19-9/h2-5,9H,6H2,1H3,(H,13,15)(H,14,16,18).
What are the key properties of N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide?
N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 25220287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).