3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C22H21N5O4S — CID 75356834

IUPAC3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CN2C(=O)NC(CCC(=O)Nc3nc(-c4ccccn4)cs3)C2=O)cc1
InChIInChI=1S/C22H21N5O4S/c1-31-15-7-5-14(6-8-15)12-27-20(29)17(25-22(27)30)9-10-19(28)26-21-24-18(13-32-21)16-4-2-3-11-23-16/h2-8,11,13,17H,9-10,12H2,1H3,(H,25,30)(H,24,26,28)
InChIKeyNIJQHVAJQNGBPT-UHFFFAOYSA-N
MW451.51 g/mol
LogP3.05
Rot. Bonds8

About 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 75356834) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID75356834
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CN2C(=O)NC(CCC(=O)Nc3nc(-c4ccccn4)cs3)C2=O)cc1
InChIInChI=1S/C22H21N5O4S/c1-31-15-7-5-14(6-8-15)12-27-20(29)17(25-22(27)30)9-10-19(28)26-21-24-18(13-32-21)16-4-2-3-11-23-16/h2-8,11,13,17H,9-10,12H2,1H3,(H,25,30)(H,24,26,28)
InChIKeyNIJQHVAJQNGBPT-UHFFFAOYSA-N
XLogP3.05
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 91640727
ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
CID 124863935
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylpropanamide
CID 75531778
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71708282
N-(2-ethylphenyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51842022
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 99870995
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 51829659
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(7-methoxyquinolin-3-yl)propanamide
CID 75357077
1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 176859767
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 75356834) is 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is COc1ccc(CN2C(=O)NC(CCC(=O)Nc3nc(-c4ccccn4)cs3)C2=O)cc1.
What is the InChIKey of 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is NIJQHVAJQNGBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-31-15-7-5-14(6-8-15)12-27-20(29)17(25-22(27)30)9-10-19(28)26-21-24-18(13-32-21)16-4-2-3-11-23-16/h2-8,11,13,17H,9-10,12H2,1H3,(H,25,30)(H,24,26,28).
What are the key properties of 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 451.51 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 75356834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).