4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide

C13H22N4OS — CID 65209875

IUPAC4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide
SMILESCCCN(C(=O)c1snnc1CC)C1CCNCC1
InChIInChI=1S/C13H22N4OS/c1-3-9-17(10-5-7-14-8-6-10)13(18)12-11(4-2)15-16-19-12/h10,14H,3-9H2,1-2H3
InChIKeyKPLGAOVRPFVMPJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.70
Rot. Bonds5

About 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide

4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide (PubChem CID 65209875) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide
PubChem CID65209875
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide
SMILESCCCN(C(=O)c1snnc1CC)C1CCNCC1
InChIInChI=1S/C13H22N4OS/c1-3-9-17(10-5-7-14-8-6-10)13(18)12-11(4-2)15-16-19-12/h10,14H,3-9H2,1-2H3
InChIKeyKPLGAOVRPFVMPJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide (CID 65209875) is 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide is CCCN(C(=O)c1snnc1CC)C1CCNCC1.
What is the InChIKey of 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide?
The InChIKey is KPLGAOVRPFVMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-9-17(10-5-7-14-8-6-10)13(18)12-11(4-2)15-16-19-12/h10,14H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide?
4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65209875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).