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

C13H20N4O2S — CID 65270975

IUPACethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H20N4O2S/c1-2-19-13(18)17-7-5-10(6-8-17)14-12-15-11(16-20-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyUBJOFWUEDYACCQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.45
Rot. Bonds4

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

ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 65270975) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID65270975
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Nameethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H20N4O2S/c1-2-19-13(18)17-7-5-10(6-8-17)14-12-15-11(16-20-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyUBJOFWUEDYACCQ-UHFFFAOYSA-N
XLogP2.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (CID 65270975) is ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(C3CC3)ns2)CC1.
What is the InChIKey of ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is UBJOFWUEDYACCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-19-13(18)17-7-5-10(6-8-17)14-12-15-11(16-20-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 296.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 65270975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).