4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine

C14H26N4OS — CID 62207774

IUPAC4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCCC(OCCC)C1
InChIInChI=1S/C14H26N4OS/c1-3-7-15-14-13(16-17-20-14)11-18-8-5-6-12(10-18)19-9-4-2/h12,15H,3-11H2,1-2H3
InChIKeyHFHZMPQXRYWOAI-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.75
Rot. Bonds8

About 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine

4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine (PubChem CID 62207774) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
PubChem CID62207774
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCCC(OCCC)C1
InChIInChI=1S/C14H26N4OS/c1-3-7-15-14-13(16-17-20-14)11-18-8-5-6-12(10-18)19-9-4-2/h12,15H,3-11H2,1-2H3
InChIKeyHFHZMPQXRYWOAI-UHFFFAOYSA-N
XLogP2.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine (CID 62207774) is 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN1CCCC(OCCC)C1.
What is the InChIKey of 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is HFHZMPQXRYWOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-3-7-15-14-13(16-17-20-14)11-18-8-5-6-12(10-18)19-9-4-2/h12,15H,3-11H2,1-2H3.
What are the key properties of 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 298.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62207774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).