methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate

C23H20N4O5S — CID 72997336

IUPACmethyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C(Cc2ccccc2)N2C(=O)NC(c3ccccc3)C2=O)n1
InChIInChI=1S/C23H20N4O5S/c1-32-21(30)16-13-33-22(24-16)26-19(28)17(12-14-8-4-2-5-9-14)27-20(29)18(25-23(27)31)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H,25,31)(H,24,26,28)
InChIKeyQPMYMFWZQIRUTN-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.77
Rot. Bonds7

About methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 72997336) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID72997336
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Namemethyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C(Cc2ccccc2)N2C(=O)NC(c3ccccc3)C2=O)n1
InChIInChI=1S/C23H20N4O5S/c1-32-21(30)16-13-33-22(24-16)26-19(28)17(12-14-8-4-2-5-9-14)27-20(29)18(25-23(27)31)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H,25,31)(H,24,26,28)
InChIKeyQPMYMFWZQIRUTN-UHFFFAOYSA-N
XLogP2.77
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate (CID 72997336) is methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)C(Cc2ccccc2)N2C(=O)NC(c3ccccc3)C2=O)n1.
What is the InChIKey of methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is QPMYMFWZQIRUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-32-21(30)16-13-33-22(24-16)26-19(28)17(12-14-8-4-2-5-9-14)27-20(29)18(25-23(27)31)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H,25,31)(H,24,26,28).
What are the key properties of methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 464.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 72997336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).