methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate

C18H18N4O5S — CID 124864373

IUPACmethyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C
InChIInChI=1S/C18H18N4O5S/c1-10-14(16(25)27-2)21-17(28-10)20-13(23)8-12-15(24)22(18(26)19-12)9-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,19,26)(H,20,21,23)/t12-/m1/s1
InChIKeyXTKAAZHUFJPLQV-GFCCVEGCSA-N
MW402.43 g/mol
LogP1.69
Rot. Bonds6

About methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 124864373) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID124864373
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Namemethyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C
InChIInChI=1S/C18H18N4O5S/c1-10-14(16(25)27-2)21-17(28-10)20-13(23)8-12-15(24)22(18(26)19-12)9-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,19,26)(H,20,21,23)/t12-/m1/s1
InChIKeyXTKAAZHUFJPLQV-GFCCVEGCSA-N
XLogP1.69
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.69
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

methyl 2-[[2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91640453
methyl 2-[3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanoylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91639204
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828189
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 124860784
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 110210009
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 91639108
2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 124862588
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110210445
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71708282
ethyl 2-[3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 91639054
N-(1,3-benzothiazol-2-yl)-2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828808
ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
CID 124863935

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate (CID 124864373) is methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C.
What is the InChIKey of methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is XTKAAZHUFJPLQV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-10-14(16(25)27-2)21-17(28-10)20-13(23)8-12-15(24)22(18(26)19-12)9-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,19,26)(H,20,21,23)/t12-/m1/s1.
What are the key properties of methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 402.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 124864373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).