2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

C5H5IN2O2S2 — CID 57468290

IUPAC2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESNC(=O)C(I)N1C(=O)CSC1=S
InChIInChI=1S/C5H5IN2O2S2/c6-3(4(7)10)8-2(9)1-12-5(8)11/h3H,1H2,(H2,7,10)
InChIKeyZLLXQRKPPWTPOQ-UHFFFAOYSA-N
MW316.15 g/mol
LogP0.09
Rot. Bonds2

About 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 57468290) has the molecular formula C5H5IN2O2S2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID57468290
Molecular FormulaC5H5IN2O2S2
Molecular Weight316.15 g/mol
Exact Mass315.88
IUPAC Name2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESNC(=O)C(I)N1C(=O)CSC1=S
InChIInChI=1S/C5H5IN2O2S2/c6-3(4(7)10)8-2(9)1-12-5(8)11/h3H,1H2,(H2,7,10)
InChIKeyZLLXQRKPPWTPOQ-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 57468290) is 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is NC(=O)C(I)N1C(=O)CSC1=S.
What is the InChIKey of 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ZLLXQRKPPWTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2O2S2/c6-3(4(7)10)8-2(9)1-12-5(8)11/h3H,1H2,(H2,7,10).
What are the key properties of 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 316.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 57468290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).