3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide

C20H23N3O4S — CID 42815288

IUPAC3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(OC)c(C2SCC(=O)N2CCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C20H23N3O4S/c1-26-15-6-7-17(27-2)16(11-15)20-23(19(25)13-28-20)10-8-18(24)22-12-14-5-3-4-9-21-14/h3-7,9,11,20H,8,10,12-13H2,1-2H3,(H,22,24)
InChIKeyZSEPVRLMRZGMCS-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.38
Rot. Bonds8

About 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 42815288) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID42815288
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1ccc(OC)c(C2SCC(=O)N2CCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C20H23N3O4S/c1-26-15-6-7-17(27-2)16(11-15)20-23(19(25)13-28-20)10-8-18(24)22-12-14-5-3-4-9-21-14/h3-7,9,11,20H,8,10,12-13H2,1-2H3,(H,22,24)
InChIKeyZSEPVRLMRZGMCS-UHFFFAOYSA-N
XLogP2.38
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide 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-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42814418
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 42814889
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3752592
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643
3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3808644

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 42815288) is 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide is COc1ccc(OC)c(C2SCC(=O)N2CCC(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is ZSEPVRLMRZGMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-26-15-6-7-17(27-2)16(11-15)20-23(19(25)13-28-20)10-8-18(24)22-12-14-5-3-4-9-21-14/h3-7,9,11,20H,8,10,12-13H2,1-2H3,(H,22,24).
What are the key properties of 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 401.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 42815288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).