N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide

C11H10N2O2S2 — CID 538010

IUPACN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)N1C(=O)CSC1=S
InChIInChI=1S/C11H10N2O2S2/c1-8(14)12(9-5-3-2-4-6-9)13-10(15)7-17-11(13)16/h2-6H,7H2,1H3
InChIKeyWEZNPIUQHJPSIR-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.81
Rot. Bonds2

About N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide

N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide (PubChem CID 538010) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide
PubChem CID538010
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC NameN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)N1C(=O)CSC1=S
InChIInChI=1S/C11H10N2O2S2/c1-8(14)12(9-5-3-2-4-6-9)13-10(15)7-17-11(13)16/h2-6H,7H2,1H3
InChIKeyWEZNPIUQHJPSIR-UHFFFAOYSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide?
The IUPAC name of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide (CID 538010) is N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide?
The canonical SMILES for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide is CC(=O)N(c1ccccc1)N1C(=O)CSC1=S.
What is the InChIKey of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide?
The InChIKey is WEZNPIUQHJPSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-8(14)12(9-5-3-2-4-6-9)13-10(15)7-17-11(13)16/h2-6H,7H2,1H3.
What are the key properties of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide?
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide has a molecular weight of 266.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylacetamide is sourced from PubChem (CID 538010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).