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

C11H10N2O2S2 — CID 1425000

IUPAC4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NN2C(=O)CSC2=S)cc1
InChIInChI=1S/C11H10N2O2S2/c1-7-2-4-8(5-3-7)10(15)12-13-9(14)6-17-11(13)16/h2-5H,6H2,1H3,(H,12,15)
InChIKeyUUECFGZQUQVEAR-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.50
Rot. Bonds2

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

4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (PubChem CID 1425000) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
PubChem CID1425000
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NN2C(=O)CSC2=S)cc1
InChIInChI=1S/C11H10N2O2S2/c1-7-2-4-8(5-3-7)10(15)12-13-9(14)6-17-11(13)16/h2-5H,6H2,1H3,(H,12,15)
InChIKeyUUECFGZQUQVEAR-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
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 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (CID 1425000) is 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is Cc1ccc(C(=O)NN2C(=O)CSC2=S)cc1.
What is the InChIKey of 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The InChIKey is UUECFGZQUQVEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-7-2-4-8(5-3-7)10(15)12-13-9(14)6-17-11(13)16/h2-5H,6H2,1H3,(H,12,15).
What are the key properties of 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide has a molecular weight of 266.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is sourced from PubChem (CID 1425000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).