ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate

C13H21N3O2S — CID 22157735

IUPACethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(C)N2CCCCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-3-18-12(17)11-9-19-13(15-11)14-10(2)16-7-5-4-6-8-16/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyKZDDFYBURMSCTN-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.56
Rot. Bonds5

About ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 22157735) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
PubChem CID22157735
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(C)N2CCCCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-3-18-12(17)11-9-19-13(15-11)14-10(2)16-7-5-4-6-8-16/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyKZDDFYBURMSCTN-UHFFFAOYSA-N
XLogP2.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(1-piperidin-1-ylethylamino)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate (CID 22157735) is ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(C)N2CCCCC2)n1.
What is the InChIKey of ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is KZDDFYBURMSCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-18-12(17)11-9-19-13(15-11)14-10(2)16-7-5-4-6-8-16/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 22157735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).