2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C18H20N4O5S — CID 71828705

IUPAC2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1OC
InChIInChI=1S/C18H20N4O5S/c1-10-9-28-17(19-10)21-15(23)7-12-16(24)22(18(25)20-12)8-11-4-5-13(26-2)14(6-11)27-3/h4-6,9,12H,7-8H2,1-3H3,(H,20,25)(H,19,21,23)/t12-/m0/s1
InChIKeyPMKCMCIZCZYRSE-LBPRGKRZSA-N
MW404.45 g/mol
LogP1.92
Rot. Bonds7

About 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71828705) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID71828705
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Name2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1OC
InChIInChI=1S/C18H20N4O5S/c1-10-9-28-17(19-10)21-15(23)7-12-16(24)22(18(25)20-12)8-11-4-5-13(26-2)14(6-11)27-3/h4-6,9,12H,7-8H2,1-3H3,(H,20,25)(H,19,21,23)/t12-/m0/s1
InChIKeyPMKCMCIZCZYRSE-LBPRGKRZSA-N
XLogP1.92
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.92
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-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 99870995
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71708282
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 124860784
N-(1,3-benzothiazol-2-yl)-2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828808
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methylpropyl)acetamide
CID 75490972
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide
CID 99871300
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 122169366
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-quinolin-5-ylacetamide
CID 99871291
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828189
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 162946269
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 91638329

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 71828705) is 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1OC.
What is the InChIKey of 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PMKCMCIZCZYRSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-10-9-28-17(19-10)21-15(23)7-12-16(24)22(18(25)20-12)8-11-4-5-13(26-2)14(6-11)27-3/h4-6,9,12H,7-8H2,1-3H3,(H,20,25)(H,19,21,23)/t12-/m0/s1.
What are the key properties of 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 404.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71828705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).