2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

C23H24N4O4S — CID 71448041

IUPAC2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)s2)cc1OC
InChIInChI=1S/C23H24N4O4S/c1-30-18-9-8-17(12-19(18)31-2)13-24-21(28)20-14-25-22(32-20)27-11-10-26(23(27)29)15-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,24,28)
InChIKeyOJENDGYRIIGUHL-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.53
Rot. Bonds8

About 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 71448041) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID71448041
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)s2)cc1OC
InChIInChI=1S/C23H24N4O4S/c1-30-18-9-8-17(12-19(18)31-2)13-24-21(28)20-14-25-22(32-20)27-11-10-26(23(27)29)15-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,24,28)
InChIKeyOJENDGYRIIGUHL-UHFFFAOYSA-N
XLogP3.53
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 71447438
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55739706
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
N-benzyl-2-[3-[(4-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59481262
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
(3R)-1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxypyrrolidine-3-carboxamide
CID 95769086
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 46942823
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
5-[(3-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-7,8-dihydro-4H-triazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 134810870
5-[benzyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189239
N-[(3,4-dimethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43910156

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 71448041) is 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is COc1ccc(CNC(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)s2)cc1OC.
What is the InChIKey of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OJENDGYRIIGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-30-18-9-8-17(12-19(18)31-2)13-24-21(28)20-14-25-22(32-20)27-11-10-26(23(27)29)15-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,24,28).
What are the key properties of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71448041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).