methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate

C20H24N2O3S — CID 20707096

IUPACmethyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(C)cc2)n1
InChIInChI=1S/C20H24N2O3S/c1-13-7-9-15(10-8-13)16(11-14-5-3-4-6-14)18(23)22-20-21-17(12-26-20)19(24)25-2/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,21,22,23)
InChIKeyZYWZOMOVUFTEIM-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.54
Rot. Bonds6

About methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 20707096) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID20707096
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Namemethyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(C)cc2)n1
InChIInChI=1S/C20H24N2O3S/c1-13-7-9-15(10-8-13)16(11-14-5-3-4-6-14)18(23)22-20-21-17(12-26-20)19(24)25-2/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,21,22,23)
InChIKeyZYWZOMOVUFTEIM-UHFFFAOYSA-N
XLogP4.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 20707091
[4-[3-cyclopentyl-1-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]phenyl]methanesulfinate
CID 174372074
2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 22315250
2-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 22467927
ethyl 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 54387059
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
2-[2-[[3-cyclopentyl-2-(4-phenylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 22467914
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
ethyl 2-[2-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86584138
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
3-cyclopentyl-N-[4-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide
CID 87642611
[4-[3-cyclopentyl-1-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]phenyl]methanesulfinate
CID 174374218

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate (CID 20707096) is methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(C)cc2)n1.
What is the InChIKey of methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ZYWZOMOVUFTEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-7-9-15(10-8-13)16(11-14-5-3-4-6-14)18(23)22-20-21-17(12-26-20)19(24)25-2/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,21,22,23).
What are the key properties of methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 372.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 20707096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).