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

C24H22N4O3S — CID 4109906

IUPAC2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1cccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1
InChIInChI=1S/C24H22N4O3S/c1-31-20-12-7-11-18(14-20)27-24-28(16-19-10-5-6-13-25-19)23(30)21(32-24)15-22(29)26-17-8-3-2-4-9-17/h2-14,21H,15-16H2,1H3,(H,26,29)/b27-24-
InChIKeyNGWZGKDKWWRJEW-PNHLSOANSA-N
MW446.53 g/mol
LogP4.25
Rot. Bonds7

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

2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 4109906) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID4109906
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1cccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1
InChIInChI=1S/C24H22N4O3S/c1-31-20-12-7-11-18(14-20)27-24-28(16-19-10-5-6-13-25-19)23(30)21(32-24)15-22(29)26-17-8-3-2-4-9-17/h2-14,21H,15-16H2,1H3,(H,26,29)/b27-24-
InChIKeyNGWZGKDKWWRJEW-PNHLSOANSA-N
XLogP4.25
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 41056673
2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 42993815
N-(3-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3978504
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 40938601
2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 42994057
2-[3-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 3965214
2-[(5S)-3-benzyl-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 41242615
2-[2-(3-methoxyphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3905163
2-[(5R)-3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 41245251
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
N-(3-methoxyphenyl)-2-[(5S)-2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715568

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 4109906) is 2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is COc1cccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2Cc2ccccn2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is NGWZGKDKWWRJEW-PNHLSOANSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-31-20-12-7-11-18(14-20)27-24-28(16-19-10-5-6-13-25-19)23(30)21(32-24)15-22(29)26-17-8-3-2-4-9-17/h2-14,21H,15-16H2,1H3,(H,26,29)/b27-24-.
What are the key properties of 2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[2-(3-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.25, 7 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-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 4109906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).