5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one

C10H9ClN2OS — CID 137319899

IUPAC5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2cccc(Cl)c2)S1
InChIInChI=1S/C10H9ClN2OS/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)
InChIKeyRNOYYYMIUKPDIH-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.05
Rot. Bonds2

About 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one

5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one (PubChem CID 137319899) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
PubChem CID137319899
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2cccc(Cl)c2)S1
InChIInChI=1S/C10H9ClN2OS/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)
InChIKeyRNOYYYMIUKPDIH-UHFFFAOYSA-N
XLogP2.05
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one (CID 137319899) is 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(Cc2cccc(Cl)c2)S1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is RNOYYYMIUKPDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14).
What are the key properties of 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137319899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).