ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate

C12H20N4O2S — CID 65271031

IUPACethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(CC)ns2)CC1
InChIInChI=1S/C12H20N4O2S/c1-3-10-14-11(19-15-10)13-9-5-7-16(8-6-9)12(17)18-4-2/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyGQNCRCKCHPUIQB-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.13
Rot. Bonds4

About ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate

ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 65271031) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID65271031
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Nameethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(CC)ns2)CC1
InChIInChI=1S/C12H20N4O2S/c1-3-10-14-11(19-15-10)13-9-5-7-16(8-6-9)12(17)18-4-2/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyGQNCRCKCHPUIQB-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (CID 65271031) is ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(CC)ns2)CC1.
What is the InChIKey of ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is GQNCRCKCHPUIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-10-14-11(19-15-10)13-9-5-7-16(8-6-9)12(17)18-4-2/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 65271031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).