2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C18H25N3O3S — CID 3900693

IUPAC2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCC/N=C1/SC(CC(=O)NCCc2ccc(OC)cc2)C(=O)N1CC
InChIInChI=1S/C18H25N3O3S/c1-4-19-18-21(5-2)17(23)15(25-18)12-16(22)20-11-10-13-6-8-14(24-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,22)/b19-18+
InChIKeyUEWYGXMAFNLZEC-VHEBQXMUSA-N
MW363.48 g/mol
LogP2.08
Rot. Bonds8

About 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 3900693) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID3900693
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCC/N=C1/SC(CC(=O)NCCc2ccc(OC)cc2)C(=O)N1CC
InChIInChI=1S/C18H25N3O3S/c1-4-19-18-21(5-2)17(23)15(25-18)12-16(22)20-11-10-13-6-8-14(24-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,22)/b19-18+
InChIKeyUEWYGXMAFNLZEC-VHEBQXMUSA-N
XLogP2.08
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
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 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 3900693) is 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is CC/N=C1/SC(CC(=O)NCCc2ccc(OC)cc2)C(=O)N1CC.
What is the InChIKey of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is UEWYGXMAFNLZEC-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-19-18-21(5-2)17(23)15(25-18)12-16(22)20-11-10-13-6-8-14(24-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,22)/b19-18+.
What are the key properties of 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 363.48 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 3900693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).