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

C15H19N3O3S — CID 4027320

IUPACN-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N/c2ccc(OC)cc2)N(C)C1=O
InChIInChI=1S/C15H19N3O3S/c1-4-16-13(19)9-12-14(20)18(2)15(22-12)17-10-5-7-11(21-3)8-6-10/h5-8,12H,4,9H2,1-3H3,(H,16,19)/b17-15+
InChIKeyYUEAJCVOURXNPL-BMRADRMJSA-N
MW321.40 g/mol
LogP1.78
Rot. Bonds5

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

N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 4027320) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID4027320
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N/c2ccc(OC)cc2)N(C)C1=O
InChIInChI=1S/C15H19N3O3S/c1-4-16-13(19)9-12-14(20)18(2)15(22-12)17-10-5-7-11(21-3)8-6-10/h5-8,12H,4,9H2,1-3H3,(H,16,19)/b17-15+
InChIKeyYUEAJCVOURXNPL-BMRADRMJSA-N
XLogP1.78
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.78
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 N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 4027320) is N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCNC(=O)CC1S/C(=N/c2ccc(OC)cc2)N(C)C1=O.
What is the InChIKey of N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YUEAJCVOURXNPL-BMRADRMJSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-16-13(19)9-12-14(20)18(2)15(22-12)17-10-5-7-11(21-3)8-6-10/h5-8,12H,4,9H2,1-3H3,(H,16,19)/b17-15+.
What are the key properties of N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 4027320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).