ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate

C19H20N4O5S — CID 124863935

IUPACethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C19H20N4O5S/c1-2-28-17(26)14-11-29-18(20-14)22-15(24)9-8-13-16(25)23(19(27)21-13)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H,21,27)(H,20,22,24)/t13-/m1/s1
InChIKeyVENNILFXTJZSIC-CYBMUJFWSA-N
MW416.46 g/mol
LogP2.16
Rot. Bonds8

About ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate (PubChem CID 124863935) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
PubChem CID124863935
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Nameethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C19H20N4O5S/c1-2-28-17(26)14-11-29-18(20-14)22-15(24)9-8-13-16(25)23(19(27)21-13)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H,21,27)(H,20,22,24)/t13-/m1/s1
InChIKeyVENNILFXTJZSIC-CYBMUJFWSA-N
XLogP2.16
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.16
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

ethyl 2-[3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 91639054
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 124860784
3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 75356834
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 99870995
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(4-phenoxyphenyl)propanamide
CID 73259731
methyl 2-[3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanoylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91639204
methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 124864373
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-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
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-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 91821927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate (CID 124863935) is ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)n1.
What is the InChIKey of ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is VENNILFXTJZSIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-2-28-17(26)14-11-29-18(20-14)22-15(24)9-8-13-16(25)23(19(27)21-13)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H,21,27)(H,20,22,24)/t13-/m1/s1.
What are the key properties of ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 416.46 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 124863935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).