N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide

C13H14N2O2S2 — CID 51674362

IUPACN-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)c(C)c1
InChIInChI=1S/C13H14N2O2S2/c1-7-3-4-9(8(2)5-7)14-11(16)6-10-12(17)15-13(18)19-10/h3-5,10H,6H2,1-2H3,(H,14,16)(H,15,17,18)/t10-/m0/s1
InChIKeyCOEDYXQCQLAKEJ-JTQLQIEISA-N
MW294.40 g/mol
LogP2.15
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide

N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide (PubChem CID 51674362) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
PubChem CID51674362
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)c(C)c1
InChIInChI=1S/C13H14N2O2S2/c1-7-3-4-9(8(2)5-7)14-11(16)6-10-12(17)15-13(18)19-10/h3-5,10H,6H2,1-2H3,(H,14,16)(H,15,17,18)/t10-/m0/s1
InChIKeyCOEDYXQCQLAKEJ-JTQLQIEISA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
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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Related Compounds

N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674371
N-(4-bromo-2-fluorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020218
N-(2,4-dimethylphenyl)-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691482
N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135755227
N-(2-bromophenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020213
N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220287
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 7263385
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25220247
4-chloro-3-[[2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 93020289
N-(2-ethoxyphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020279
N-(4-chlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220255
N-(4-chlorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020224

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide (CID 51674362) is N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is COEDYXQCQLAKEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-7-3-4-9(8(2)5-7)14-11(16)6-10-12(17)15-13(18)19-10/h3-5,10H,6H2,1-2H3,(H,14,16)(H,15,17,18)/t10-/m0/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 51674362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).