2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide

C21H18N4O4S — CID 108806618

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C21H18N4O4S/c1-12-7-14(26)8-13(2)24(12)11-18(27)23-21-22-9-15(30-21)10-25-19(28)16-5-3-4-6-17(16)20(25)29/h3-9H,10-11H2,1-2H3,(H,22,23,27)
InChIKeyBHZJYNZZAUZKMU-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.36
Rot. Bonds5

About 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 108806618) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID108806618
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C21H18N4O4S/c1-12-7-14(26)8-13(2)24(12)11-18(27)23-21-22-9-15(30-21)10-25-19(28)16-5-3-4-6-17(16)20(25)29/h3-9H,10-11H2,1-2H3,(H,22,23,27)
InChIKeyBHZJYNZZAUZKMU-UHFFFAOYSA-N
XLogP2.36
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide 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-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
3-(2-chlorophenoxy)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108802406
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 33293901
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798398
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801953
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801048
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108806521
2-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3764789
N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794875
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)acetamide
CID 18808957
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 108756226

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 108806618) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cc(=O)cc(C)n1CC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BHZJYNZZAUZKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-12-7-14(26)8-13(2)24(12)11-18(27)23-21-22-9-15(30-21)10-25-19(28)16-5-3-4-6-17(16)20(25)29/h3-9H,10-11H2,1-2H3,(H,22,23,27).
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 422.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108806618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).