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

C11H12N2OS — CID 137319891

IUPAC2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2ccc(C)cc2)S1
InChIInChI=1S/C11H12N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(12)15-9/h2-5,9H,6H2,1H3,(H2,12,13,14)
InChIKeyCPZYOLSNGXJSQL-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.70
Rot. Bonds2

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

2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 137319891) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID137319891
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2ccc(C)cc2)S1
InChIInChI=1S/C11H12N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(12)15-9/h2-5,9H,6H2,1H3,(H2,12,13,14)
InChIKeyCPZYOLSNGXJSQL-UHFFFAOYSA-N
XLogP1.70
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.70
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 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 137319891) is 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(Cc2ccc(C)cc2)S1.
What is the InChIKey of 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is CPZYOLSNGXJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-2-4-8(5-3-7)6-9-10(14)13-11(12)15-9/h2-5,9H,6H2,1H3,(H2,12,13,14).
What are the key properties of 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137319891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).