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

C10H7BrN2O2S2 — CID 1375817

IUPAC2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESO=C(NN1C(=O)CSC1=S)c1ccccc1Br
InChIInChI=1S/C10H7BrN2O2S2/c11-7-4-2-1-3-6(7)9(15)12-13-8(14)5-17-10(13)16/h1-4H,5H2,(H,12,15)
InChIKeyLTSANEVJWWSQNU-UHFFFAOYSA-N
MW331.22 g/mol
LogP1.95
Rot. Bonds2

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

2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (PubChem CID 1375817) has the molecular formula C10H7BrN2O2S2 and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
PubChem CID1375817
Molecular FormulaC10H7BrN2O2S2
Molecular Weight331.22 g/mol
Exact Mass329.91
IUPAC Name2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESO=C(NN1C(=O)CSC1=S)c1ccccc1Br
InChIInChI=1S/C10H7BrN2O2S2/c11-7-4-2-1-3-6(7)9(15)12-13-8(14)5-17-10(13)16/h1-4H,5H2,(H,12,15)
InChIKeyLTSANEVJWWSQNU-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 51.95
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-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (CID 1375817) is 2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is O=C(NN1C(=O)CSC1=S)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The InChIKey is LTSANEVJWWSQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2S2/c11-7-4-2-1-3-6(7)9(15)12-13-8(14)5-17-10(13)16/h1-4H,5H2,(H,12,15).
What are the key properties of 2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide has a molecular weight of 331.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is sourced from PubChem (CID 1375817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).