methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate

C20H20N4O5S — CID 143199997

IUPACmethyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESC/C=C/[C@H]1NC(=O)N(C(Cc2ccccc2)C(=O)Nc2nc(C(=O)OC)cs2)C1=O
InChIInChI=1S/C20H20N4O5S/c1-3-7-13-17(26)24(20(28)22-13)15(10-12-8-5-4-6-9-12)16(25)23-19-21-14(11-30-19)18(27)29-2/h3-9,11,13,15H,10H2,1-2H3,(H,22,28)(H,21,23,25)/b7-3+/t13-,15?/m1/s1
InChIKeyLOAWKRFTUJVPHY-MZDHVPRISA-N
MW428.47 g/mol
LogP1.98
Rot. Bonds7

About methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 143199997) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID143199997
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Namemethyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESC/C=C/[C@H]1NC(=O)N(C(Cc2ccccc2)C(=O)Nc2nc(C(=O)OC)cs2)C1=O
InChIInChI=1S/C20H20N4O5S/c1-3-7-13-17(26)24(20(28)22-13)15(10-12-8-5-4-6-9-12)16(25)23-19-21-14(11-30-19)18(27)29-2/h3-9,11,13,15H,10H2,1-2H3,(H,22,28)(H,21,23,25)/b7-3+/t13-,15?/m1/s1
InChIKeyLOAWKRFTUJVPHY-MZDHVPRISA-N
XLogP1.98
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72997336
methyl 2-[[2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839223
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-[4-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 73048780
methyl 2-[[2-[4-(5-fluoro-2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839230
methyl 2-[[2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839207
N-methoxy-2-[[(2S)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
CID 58615474
methyl 2-[[(2S)-2-(4-hydroxy-2-oxo-5-phenyl-1H-imidazol-3-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 91244277
methyl 2-[[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxoimidazolidin-1-yl]-3-pyridin-3-ylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72992373
methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 142094768
methyl 2-[[3-(2-cyanophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 76839231
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of 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) is methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate is C/C=C/[C@H]1NC(=O)N(C(Cc2ccccc2)C(=O)Nc2nc(C(=O)OC)cs2)C1=O.
What is the InChIKey of methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is LOAWKRFTUJVPHY-MZDHVPRISA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-3-7-13-17(26)24(20(28)22-13)15(10-12-8-5-4-6-9-12)16(25)23-19-21-14(11-30-19)18(27)29-2/h3-9,11,13,15H,10H2,1-2H3,(H,22,28)(H,21,23,25)/b7-3+/t13-,15?/m1/s1.
What are the key properties of methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 428.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4R)-2,5-dioxo-4-[(E)-prop-1-enyl]imidazolidin-1-yl]-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 143199997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).