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

C11H18N4O2S — CID 65267678

IUPACethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C)ns2)CC1
InChIInChI=1S/C11H18N4O2S/c1-3-17-11(16)15-6-4-9(5-7-15)13-10-12-8(2)14-18-10/h9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyJVVNQZQHCSPCET-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.88
Rot. Bonds3

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

ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 65267678) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID65267678
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nameethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C)ns2)CC1
InChIInChI=1S/C11H18N4O2S/c1-3-17-11(16)15-6-4-9(5-7-15)13-10-12-8(2)14-18-10/h9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyJVVNQZQHCSPCET-UHFFFAOYSA-N
XLogP1.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (CID 65267678) is ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(C)ns2)CC1.
What is the InChIKey of ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is JVVNQZQHCSPCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-17-11(16)15-6-4-9(5-7-15)13-10-12-8(2)14-18-10/h9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 270.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 65267678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).