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

C11H10N2O2S2 — CID 1202470

IUPAC2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESCc1ccccc1C(=O)NN1C(=O)CSC1=S
InChIInChI=1S/C11H10N2O2S2/c1-7-4-2-3-5-8(7)10(15)12-13-9(14)6-17-11(13)16/h2-5H,6H2,1H3,(H,12,15)
InChIKeyBEJRBARECMNMAM-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.50
Rot. Bonds2

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

2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (PubChem CID 1202470) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
PubChem CID1202470
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESCc1ccccc1C(=O)NN1C(=O)CSC1=S
InChIInChI=1S/C11H10N2O2S2/c1-7-4-2-3-5-8(7)10(15)12-13-9(14)6-17-11(13)16/h2-5H,6H2,1H3,(H,12,15)
InChIKeyBEJRBARECMNMAM-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 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The IUPAC name of 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (CID 1202470) is 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The canonical SMILES for 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is Cc1ccccc1C(=O)NN1C(=O)CSC1=S.
What is the InChIKey of 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The InChIKey is BEJRBARECMNMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-7-4-2-3-5-8(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 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
2-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 2-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is sourced from PubChem (CID 1202470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).