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

C15H25N3O2S — CID 43109490

IUPACethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)c2nc(C)sc2C)CC1
InChIInChI=1S/C15H25N3O2S/c1-5-20-15(19)18-8-6-13(7-9-18)16-10(2)14-11(3)21-12(4)17-14/h10,13,16H,5-9H2,1-4H3
InChIKeyIATFJUUSVPRFDZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.03
Rot. Bonds4

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

ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 43109490) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate
PubChem CID43109490
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)c2nc(C)sc2C)CC1
InChIInChI=1S/C15H25N3O2S/c1-5-20-15(19)18-8-6-13(7-9-18)16-10(2)14-11(3)21-12(4)17-14/h10,13,16H,5-9H2,1-4H3
InChIKeyIATFJUUSVPRFDZ-UHFFFAOYSA-N
XLogP3.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate (CID 43109490) is ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)c2nc(C)sc2C)CC1.
What is the InChIKey of ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is IATFJUUSVPRFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-20-15(19)18-8-6-13(7-9-18)16-10(2)14-11(3)21-12(4)17-14/h10,13,16H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate?
ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 43109490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).