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

C18H16N2O3S — CID 172707194

IUPAC5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2cc(C(=O)c3ccccc3)ccc2OC)S1
InChIInChI=1S/C18H16N2O3S/c1-23-14-8-7-12(16(21)11-5-3-2-4-6-11)9-13(14)10-15-17(22)20-18(19)24-15/h2-9,15H,10H2,1H3,(H2,19,20,22)
InChIKeyDTCHNUGOSQOEIR-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.64
Rot. Bonds5

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

5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one (PubChem CID 172707194) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one
PubChem CID172707194
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(Cc2cc(C(=O)c3ccccc3)ccc2OC)S1
InChIInChI=1S/C18H16N2O3S/c1-23-14-8-7-12(16(21)11-5-3-2-4-6-11)9-13(14)10-15-17(22)20-18(19)24-15/h2-9,15H,10H2,1H3,(H2,19,20,22)
InChIKeyDTCHNUGOSQOEIR-UHFFFAOYSA-N
XLogP2.64
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one (CID 172707194) is 5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(Cc2cc(C(=O)c3ccccc3)ccc2OC)S1.
What is the InChIKey of 5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is DTCHNUGOSQOEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-14-8-7-12(16(21)11-5-3-2-4-6-11)9-13(14)10-15-17(22)20-18(19)24-15/h2-9,15H,10H2,1H3,(H2,19,20,22).
What are the key properties of 5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one?
5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-benzoyl-2-methoxyphenyl)methyl]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 172707194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).