ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate

C22H29N3O3S — CID 127048457

IUPACethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc1CC
InChIInChI=1S/C22H29N3O3S/c1-3-18-20(21(27)28-4-2)29-22(23-18)24-19(26)15-25-12-10-17(11-13-25)14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,23,24,26)
InChIKeyFEJSORIOLVJYHS-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.78
Rot. Bonds8

About ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 127048457) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID127048457
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Nameethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc1CC
InChIInChI=1S/C22H29N3O3S/c1-3-18-20(21(27)28-4-2)29-22(23-18)24-19(26)15-25-12-10-17(11-13-25)14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,23,24,26)
InChIKeyFEJSORIOLVJYHS-UHFFFAOYSA-N
XLogP3.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Ethyl 2-{[(4-fluorophenyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 3921576
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 896898
Kif15-IN-1
CID 60076300
ethyl 2-((2E)-3-phenylprop-2-enoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 681702
Methyl 4-methyl-2-{[3-(4-methylphenyl)acryloyl]amino}-1,3-thiazole-5-carboxylate
CID 896151
Ethyl 5-methyl-2-[(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 2474286
Methyl 4-methyl-2-[(2-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2930734
Ethyl 4-methyl-2-(2-(p-tolyl)acetamido)thiazole-5-carboxylate
CID 2991145
Methyl 4-methyl-2-[(2-phenylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2970416
Ethyl 4-methyl-2-[(3-phenylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2987246
2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
CID 2171218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate (CID 127048457) is ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc1CC.
What is the InChIKey of ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is FEJSORIOLVJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-18-20(21(27)28-4-2)29-22(23-18)24-19(26)15-25-12-10-17(11-13-25)14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,23,24,26).
What are the key properties of ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 415.56 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 127048457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).