(2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide

C11H8N2O2S2 — CID 134138044

IUPAC(2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide
SMILESO=C(/C=C1\SC(=S)NC1=O)Nc1ccccc1
InChIInChI=1S/C11H8N2O2S2/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)/b8-6-
InChIKeySZBBMYHWEGNZOX-VURMDHGXSA-N
MW264.33 g/mol
LogP1.66
Rot. Bonds2

About (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide

(2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide (PubChem CID 134138044) has the molecular formula C11H8N2O2S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide.

Molecular Properties

Compound Name(2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide
PubChem CID134138044
Molecular FormulaC11H8N2O2S2
Molecular Weight264.33 g/mol
Exact Mass264.00
IUPAC Name(2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide
SMILESO=C(/C=C1\SC(=S)NC1=O)Nc1ccccc1
InChIInChI=1S/C11H8N2O2S2/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)/b8-6-
InChIKeySZBBMYHWEGNZOX-VURMDHGXSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-(Dimethylamino)benzylidene)rhodanine
CID 2723826
4-Dimethylaminobenzylidenerhodanine
CID 1273211
N-Phenylrhodanine
CID 73822
p-Dimethylaminobenzalrhodanine
CID 1273212
Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
Acetanilide, 2-(thiocarbamyl)-
CID 2771319
5-Methyl-3-phenyl-2-thioxo-4-thiazolidinone
CID 98329
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3769533
3-ethyl-5-[3-(N-methylanilino)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 327529
Rhodanine, 5-(p-acetamidobenzylidene)-
CID 5751613
5-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-4-carboxamide
CID 665786
5-(1-methyl-2(1H)-pyridinylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
CID 2259949

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide?
The IUPAC name of (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide (CID 134138044) is (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide.
What is the SMILES notation for (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide?
The canonical SMILES for (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide is O=C(/C=C1\SC(=S)NC1=O)Nc1ccccc1.
What is the InChIKey of (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide?
The InChIKey is SZBBMYHWEGNZOX-VURMDHGXSA-N. The full InChI is InChI=1S/C11H8N2O2S2/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)/b8-6-.
What are the key properties of (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide?
(2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide has a molecular weight of 264.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide is sourced from PubChem (CID 134138044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).