ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate

C13H19N3O3S — CID 46944219

IUPACethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)c2snnc2C)C1
InChIInChI=1S/C13H19N3O3S/c1-4-19-12(18)13(3)6-5-7-16(8-13)11(17)10-9(2)14-15-20-10/h4-8H2,1-3H3
InChIKeyHJSQCUCVROSABD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.65
Rot. Bonds3

About ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate

ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate (PubChem CID 46944219) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
PubChem CID46944219
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)c2snnc2C)C1
InChIInChI=1S/C13H19N3O3S/c1-4-19-12(18)13(3)6-5-7-16(8-13)11(17)10-9(2)14-15-20-10/h4-8H2,1-3H3
InChIKeyHJSQCUCVROSABD-UHFFFAOYSA-N
XLogP1.65
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate (CID 46944219) is ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(C)CCCN(C(=O)c2snnc2C)C1.
What is the InChIKey of ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The InChIKey is HJSQCUCVROSABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-19-12(18)13(3)6-5-7-16(8-13)11(17)10-9(2)14-15-20-10/h4-8H2,1-3H3.
What are the key properties of ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 46944219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).