methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate

C23H20N4O5S — CID 91244277

IUPACmethyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)[C@H](Cc2ccccc2)n2c(O)c(-c3ccccc3)[nH]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/h2-11,13,17,29H,12H2,1H3,(H,25,31)(H,24,26,28)/t17-/m0/s1
InChIKeyCYEOFEIZUUGJHE-KRWDZBQOSA-N
MW464.50 g/mol
LogP3.21
Rot. Bonds7

About methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 91244277) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID91244277
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Namemethyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)[C@H](Cc2ccccc2)n2c(O)c(-c3ccccc3)[nH]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/h2-11,13,17,29H,12H2,1H3,(H,25,31)(H,24,26,28)/t17-/m0/s1
InChIKeyCYEOFEIZUUGJHE-KRWDZBQOSA-N
XLogP3.21
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[[(2S)-2-[5-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 90911696
methyl 2-[[(2S)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 91098726
methyl 2-[[(2S)-2-[4-hydroxy-5-(1-methylbenzimidazol-5-yl)-2-oxo-1H-imidazol-3-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 91459874
methyl 2-[[(2S)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]-3-(4-fluorophenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 91142289
methyl 2-[[(2S)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]-3-thiophen-3-ylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 91557570
methyl 2-[[(2S)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]-3-pyridin-3-ylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 91100710
methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72997336
methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(4-phenylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72995078
methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 143199997
(2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
CID 90787626
methyl 2-[[(2S,3R)-2-[4-hydroxy-5-[4-(2-methoxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-1,3-thiazole-4-carboxylate
CID 90741154
methyl 2-[[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-2-oxo-1H-imidazol-3-yl]-3-[4-(dimethylamino)phenyl]propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 91053990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate (CID 91244277) is methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)[C@H](Cc2ccccc2)n2c(O)c(-c3ccccc3)[nH]c2=O)n1.
What is the InChIKey of methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is CYEOFEIZUUGJHE-KRWDZBQOSA-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/h2-11,13,17,29H,12H2,1H3,(H,25,31)(H,24,26,28)/t17-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 464.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 91244277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).