N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide

C18H17N3O3S — CID 135473689

IUPACN-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-24-14-9-7-13(8-10-14)19-16(22)11-15-17(23)21-18(25-15)20-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyNYYRGTLYEPFZPJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.94
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide

N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 135473689) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID135473689
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-24-14-9-7-13(8-10-14)19-16(22)11-15-17(23)21-18(25-15)20-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyNYYRGTLYEPFZPJ-UHFFFAOYSA-N
XLogP2.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.94
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 N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide (CID 135473689) is N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide is COc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)NC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is NYYRGTLYEPFZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-14-9-7-13(8-10-14)19-16(22)11-15-17(23)21-18(25-15)20-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 135473689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).