ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate

C15H25N3O2S — CID 71921306

IUPACethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCc2sc(C)nc2C)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-20-15(19)18-9-6-13(7-10-18)16-8-5-14-11(2)17-12(3)21-14/h13,16H,4-10H2,1-3H3
InChIKeyZRXMYJJWYZDCAU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.51
Rot. Bonds5

About ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 71921306) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
PubChem CID71921306
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCc2sc(C)nc2C)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-20-15(19)18-9-6-13(7-10-18)16-8-5-14-11(2)17-12(3)21-14/h13,16H,4-10H2,1-3H3
InChIKeyZRXMYJJWYZDCAU-UHFFFAOYSA-N
XLogP2.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43093103
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ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate
CID 60972700
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
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ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125438149
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CID 103235028

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate (CID 71921306) is ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCc2sc(C)nc2C)CC1.
What is the InChIKey of ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is ZRXMYJJWYZDCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-20-15(19)18-9-6-13(7-10-18)16-8-5-14-11(2)17-12(3)21-14/h13,16H,4-10H2,1-3H3.
What are the key properties of ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 71921306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).