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

C13H22N4O2S — CID 65270976

IUPACethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCCc1nsc(NC2CCN(C(=O)OCC)CC2)n1
InChIInChI=1S/C13H22N4O2S/c1-3-5-11-15-12(20-16-11)14-10-6-8-17(9-7-10)13(18)19-4-2/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeySEUNZDSCKMPYOX-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.52
Rot. Bonds5

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

ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 65270976) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID65270976
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Nameethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCCc1nsc(NC2CCN(C(=O)OCC)CC2)n1
InChIInChI=1S/C13H22N4O2S/c1-3-5-11-15-12(20-16-11)14-10-6-8-17(9-7-10)13(18)19-4-2/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeySEUNZDSCKMPYOX-UHFFFAOYSA-N
XLogP2.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (CID 65270976) is ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is CCCc1nsc(NC2CCN(C(=O)OCC)CC2)n1.
What is the InChIKey of ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is SEUNZDSCKMPYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-5-11-15-12(20-16-11)14-10-6-8-17(9-7-10)13(18)19-4-2/h10H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 65270976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).