5-iodo-4-methyl-1,3-thiazolidin-2-one

C4H6INOS — CID 118934212

IUPAC5-iodo-4-methyl-1,3-thiazolidin-2-one
SMILESCC1NC(=O)SC1I
InChIInChI=1S/C4H6INOS/c1-2-3(5)8-4(7)6-2/h2-3H,1H3,(H,6,7)
InChIKeyCNWMQPQXWHLRBV-UHFFFAOYSA-N
MW243.07 g/mol
LogP1.59
Rot. Bonds

About 5-iodo-4-methyl-1,3-thiazolidin-2-one

5-iodo-4-methyl-1,3-thiazolidin-2-one (PubChem CID 118934212) has the molecular formula C4H6INOS and a molecular weight of 243.07 g/mol. Its IUPAC name is 5-iodo-4-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-iodo-4-methyl-1,3-thiazolidin-2-one
PubChem CID118934212
Molecular FormulaC4H6INOS
Molecular Weight243.07 g/mol
Exact Mass242.92
IUPAC Name5-iodo-4-methyl-1,3-thiazolidin-2-one
SMILESCC1NC(=O)SC1I
InChIInChI=1S/C4H6INOS/c1-2-3(5)8-4(7)6-2/h2-3H,1H3,(H,6,7)
InChIKeyCNWMQPQXWHLRBV-UHFFFAOYSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 5-iodo-4-methyl-1,3-thiazolidin-2-one (CID 118934212) is 5-iodo-4-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-iodo-4-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-iodo-4-methyl-1,3-thiazolidin-2-one is CC1NC(=O)SC1I.
What is the InChIKey of 5-iodo-4-methyl-1,3-thiazolidin-2-one?
The InChIKey is CNWMQPQXWHLRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6INOS/c1-2-3(5)8-4(7)6-2/h2-3H,1H3,(H,6,7).
What are the key properties of 5-iodo-4-methyl-1,3-thiazolidin-2-one?
5-iodo-4-methyl-1,3-thiazolidin-2-one has a molecular weight of 243.07 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 118934212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).