2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

C12H12N2O2S2 — CID 135455148

IUPAC2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCc1ccc(SCC(=O)/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C12H12N2O2S2/c1-8-2-4-9(5-3-8)17-6-10(15)13-12-14-11(16)7-18-12/h2-5H,6-7H2,1H3,(H,13,14,15,16)
InChIKeyFBXNTDBIVNHSMU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.83
Rot. Bonds3

About 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide

2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 135455148) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID135455148
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
SMILESCc1ccc(SCC(=O)/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C12H12N2O2S2/c1-8-2-4-9(5-3-8)17-6-10(15)13-12-14-11(16)7-18-12/h2-5H,6-7H2,1H3,(H,13,14,15,16)
InChIKeyFBXNTDBIVNHSMU-UHFFFAOYSA-N
XLogP1.83
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
CID 977158
(5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2410272
6-Methyl-2-({2-[(4-methylphenyl)thio]ethyl}thio)-4-pyrimidinol
CID 135414632
6-Amino-2-({2-[(4-methylphenyl)thio]ethyl}thio)-4-pyrimidinol
CID 135547340
(2E)-5-methyl-2-[(E)-2-(4-methylphenyl)sulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136203718
(2E)-5-ethyl-2-[(E)-1-(4-methylphenyl)sulfanylpropan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136203732
4-methyl-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
CID 135422665
(2Z)-5-methyl-2-[(E)-3-(4-methylphenyl)sulfanylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136035726
4-amino-2-[(4-methylsulfonylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136042281
4-methyl-N-(4-oxo-1,3-thiazol-2-yl)benzenesulfonamide
CID 135463725
4-methyl-N-(4-oxo-thiazolidin-2-ylidene)benzenesulfonamide
CID 135470027
(5Z)-2-amino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazol-4-one
CID 2470815

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide (CID 135455148) is 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is Cc1ccc(SCC(=O)/N=C2/NC(=O)CS2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is FBXNTDBIVNHSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-8-2-4-9(5-3-8)17-6-10(15)13-12-14-11(16)7-18-12/h2-5H,6-7H2,1H3,(H,13,14,15,16).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide?
2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 135455148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).