2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid

C23H26N4O6S — CID 22679146

IUPAC2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)C(CC2CCCCC2)N2C(=O)NC(Cc3cccc(O)c3)C2=O)n1
InChIInChI=1S/C23H26N4O6S/c28-15-8-4-7-14(9-15)10-16-20(30)27(23(33)25-16)18(11-13-5-2-1-3-6-13)19(29)26-22-24-17(12-34-22)21(31)32/h4,7-9,12-13,16,18,28H,1-3,5-6,10-11H2,(H,25,33)(H,31,32)(H,24,26,29)
InChIKeyMQEPXYCWMULBJI-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.99
Rot. Bonds8

About 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid

2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 22679146) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID22679146
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)C(CC2CCCCC2)N2C(=O)NC(Cc3cccc(O)c3)C2=O)n1
InChIInChI=1S/C23H26N4O6S/c28-15-8-4-7-14(9-15)10-16-20(30)27(23(33)25-16)18(11-13-5-2-1-3-6-13)19(29)26-22-24-17(12-34-22)21(31)32/h4,7-9,12-13,16,18,28H,1-3,5-6,10-11H2,(H,25,33)(H,31,32)(H,24,26,29)
InChIKeyMQEPXYCWMULBJI-UHFFFAOYSA-N
XLogP2.99
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

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-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 142094768
2-[[(2S)-2-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 151196806
(2S)-3-cyclohexyl-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 141042919
2-[2-[(4S)-2,5-dioxo-4-phenylimidazolidin-1-yl]pentanoylamino]-1,3-thiazole-4-carboxylic acid
CID 174534586
(2S)-3-cyclohexyl-2-[4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 67483704
(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 10224339
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
2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 22315250
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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid (CID 22679146) is 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NC(=O)C(CC2CCCCC2)N2C(=O)NC(Cc3cccc(O)c3)C2=O)n1.
What is the InChIKey of 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MQEPXYCWMULBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c28-15-8-4-7-14(9-15)10-16-20(30)27(23(33)25-16)18(11-13-5-2-1-3-6-13)19(29)26-22-24-17(12-34-22)21(31)32/h4,7-9,12-13,16,18,28H,1-3,5-6,10-11H2,(H,25,33)(H,31,32)(H,24,26,29).
What are the key properties of 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 486.55 g/mol, XLogP of 2.99, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22679146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).