ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate

C13H19N3O3S — CID 107378211

IUPACethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NN2CCCCC2)sc1C(C)=O
InChIInChI=1S/C13H19N3O3S/c1-3-19-12(18)10-11(9(2)17)20-13(14-10)15-16-7-5-4-6-8-16/h3-8H2,1-2H3,(H,14,15)
InChIKeyYETXGPMYKROIOP-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.34
Rot. Bonds5

About ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate (PubChem CID 107378211) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate
PubChem CID107378211
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NN2CCCCC2)sc1C(C)=O
InChIInChI=1S/C13H19N3O3S/c1-3-19-12(18)10-11(9(2)17)20-13(14-10)15-16-7-5-4-6-8-16/h3-8H2,1-2H3,(H,14,15)
InChIKeyYETXGPMYKROIOP-UHFFFAOYSA-N
XLogP2.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-acetyl-2-(piperidin-1-ylamino)-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

5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697979
ethyl 5-acetyl-2-(2,2-difluoroethylamino)-1,3-thiazole-4-carboxylate
CID 107378177
ethyl 5-acetyl-2-[(5-amino-5-oxopentyl)amino]-1,3-thiazole-4-carboxylate
CID 106241485
ethyl 5-acetyl-2-(thian-4-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 107378342
ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate
CID 107380120
ethyl 5-acetyl-2-(2,3,3-trimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 107378230
ethyl 5-acetyl-2-[(4-amino-4-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 107378363
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
ethyl 5-acetyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106411446
ethyl 5-acetyl-2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 107377556
diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
CID 27277044
ethyl 5-acetyl-2-(3-sulfamoylpropylamino)-1,3-thiazole-4-carboxylate
CID 107377433

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate (CID 107378211) is ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NN2CCCCC2)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is YETXGPMYKROIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-19-12(18)10-11(9(2)17)20-13(14-10)15-16-7-5-4-6-8-16/h3-8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107378211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).