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

C23H32N4O5S — CID 91239407

IUPACmethyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)[C@H](CC2CCCCC2)n2c(O)c(CC3CCCC3)[nH]c2=O)n1
InChIInChI=1S/C23H32N4O5S/c1-32-21(30)17-13-33-22(24-17)26-19(28)18(12-15-7-3-2-4-8-15)27-20(29)16(25-23(27)31)11-14-9-5-6-10-14/h13-15,18,29H,2-12H2,1H3,(H,25,31)(H,24,26,28)/t18-/m0/s1
InChIKeyVTASNSOITWAUEY-SFHVURJKSA-N
MW476.60 g/mol
LogP4.01
Rot. Bonds8

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

methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 91239407) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID91239407
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Namemethyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)[C@H](CC2CCCCC2)n2c(O)c(CC3CCCC3)[nH]c2=O)n1
InChIInChI=1S/C23H32N4O5S/c1-32-21(30)17-13-33-22(24-17)26-19(28)18(12-15-7-3-2-4-8-15)27-20(29)16(25-23(27)31)11-14-9-5-6-10-14/h13-15,18,29H,2-12H2,1H3,(H,25,31)(H,24,26,28)/t18-/m0/s1
InChIKeyVTASNSOITWAUEY-SFHVURJKSA-N
XLogP4.01
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]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-[[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-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 142094768
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-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 20707096
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-[[(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-[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)-3-cyclohexyl-2-(6,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 71540713
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
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of 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) is methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)[C@H](CC2CCCCC2)n2c(O)c(CC3CCCC3)[nH]c2=O)n1.
What is the InChIKey of methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is VTASNSOITWAUEY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-32-21(30)17-13-33-22(24-17)26-19(28)18(12-15-7-3-2-4-8-15)27-20(29)16(25-23(27)31)11-14-9-5-6-10-14/h13-15,18,29H,2-12H2,1H3,(H,25,31)(H,24,26,28)/t18-/m0/s1.
What are the key properties of methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 476.60 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-3-cyclohexyl-2-[5-(cyclopentylmethyl)-4-hydroxy-2-oxo-1H-imidazol-3-yl]propanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 91239407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).