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

C24H27ClN4O5S — CID 142094768

IUPACmethyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C(CC2CCCCC2)N2C(=O)N[C@H](Cc3ccc(Cl)cc3)C2=O)n1
InChIInChI=1S/C24H27ClN4O5S/c1-34-22(32)18-13-35-23(26-18)28-20(30)19(12-14-5-3-2-4-6-14)29-21(31)17(27-24(29)33)11-15-7-9-16(25)10-8-15/h7-10,13-14,17,19H,2-6,11-12H2,1H3,(H,27,33)(H,26,28,30)/t17-,19?/m1/s1
InChIKeyPYVWJBSOLDEIAK-DUSLRRAJSA-N
MW519.02 g/mol
LogP4.02
Rot. Bonds8

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

methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 142094768) has the molecular formula C24H27ClN4O5S and a molecular weight of 519.02 g/mol. Its IUPAC name is methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID142094768
Molecular FormulaC24H27ClN4O5S
Molecular Weight519.02 g/mol
Exact Mass518.14
IUPAC Namemethyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C(CC2CCCCC2)N2C(=O)N[C@H](Cc3ccc(Cl)cc3)C2=O)n1
InChIInChI=1S/C24H27ClN4O5S/c1-34-22(32)18-13-35-23(26-18)28-20(30)19(12-14-5-3-2-4-6-14)29-21(31)17(27-24(29)33)11-15-7-9-16(25)10-8-15/h7-10,13-14,17,19H,2-6,11-12H2,1H3,(H,27,33)(H,26,28,30)/t17-,19?/m1/s1
InChIKeyPYVWJBSOLDEIAK-DUSLRRAJSA-N
XLogP4.02
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.02
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 22679146
2-[[(2S)-3-cyclohexyl-2-[(4S)-2,5-dioxo-4-(thiophen-2-ylmethyl)imidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 21130487
methyl 2-[[3-cyclohexyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 21130502
methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 91239407
(5S)-5-[(4-chlorophenyl)methyl]-3-[(2S)-1-cyclohexyl-4-methyl-3-oxohexan-2-yl]imidazolidine-2,4-dione
CID 143606746
methyl 2-[[2-[4-(1,3-benzodioxol-5-yl)-2,5-dioxoimidazolidin-1-yl]-3-cyclopropylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72992120
methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72997336
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
methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(4-phenylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72995078
methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 20707096
methyl 2-[[(2S)-2-(2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylate
CID 11553886
(2S)-3-cyclohexyl-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 141042919

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate (CID 142094768) is methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)C(CC2CCCCC2)N2C(=O)N[C@H](Cc3ccc(Cl)cc3)C2=O)n1.
What is the InChIKey of methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is PYVWJBSOLDEIAK-DUSLRRAJSA-N. The full InChI is InChI=1S/C24H27ClN4O5S/c1-34-22(32)18-13-35-23(26-18)28-20(30)19(12-14-5-3-2-4-6-14)29-21(31)17(27-24(29)33)11-15-7-9-16(25)10-8-15/h7-10,13-14,17,19H,2-6,11-12H2,1H3,(H,27,33)(H,26,28,30)/t17-,19?/m1/s1.
What are the key properties of methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 519.02 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 142094768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).