2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C22H25N3O4S — CID 3905163

IUPAC2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOCC(C)N1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1cccc(OC)c1
InChIInChI=1S/C22H25N3O4S/c1-15(14-28-2)25-21(27)19(13-20(26)23-16-8-5-4-6-9-16)30-22(25)24-17-10-7-11-18(12-17)29-3/h4-12,15,19H,13-14H2,1-3H3,(H,23,26)/b24-22-
InChIKeyDIDKYIVBTAOQDM-GYHWCHFESA-N
MW427.53 g/mol
LogP3.69
Rot. Bonds8

About 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 3905163) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID3905163
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOCC(C)N1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1cccc(OC)c1
InChIInChI=1S/C22H25N3O4S/c1-15(14-28-2)25-21(27)19(13-20(26)23-16-8-5-4-6-9-16)30-22(25)24-17-10-7-11-18(12-17)29-3/h4-12,15,19H,13-14H2,1-3H3,(H,23,26)/b24-22-
InChIKeyDIDKYIVBTAOQDM-GYHWCHFESA-N
XLogP3.69
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5S)-2-(2,4-difluorophenyl)imino-3-[(2S)-1-methoxypropan-2-yl]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6598231
N-(4-fluorophenyl)-2-[(5S)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318124
2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4109906
N-(3-ethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28718014
N-(3-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3978504
N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4001896
2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135464066
N-(3-methoxyphenyl)-2-[(5S)-2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715568
2-[(5S)-3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1217933
2-[(5S)-2-(3-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 7324474
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 28748444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 3905163) is 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is COCC(C)N1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1cccc(OC)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is DIDKYIVBTAOQDM-GYHWCHFESA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-15(14-28-2)25-21(27)19(13-20(26)23-16-8-5-4-6-9-16)30-22(25)24-17-10-7-11-18(12-17)29-3/h4-12,15,19H,13-14H2,1-3H3,(H,23,26)/b24-22-.
What are the key properties of 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 427.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 3905163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).