5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine

C10H18N4S — CID 66280341

IUPAC5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCCCC1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C10H18N4S/c1-2-3-8-4-6-14(7-5-8)10-12-9(11)13-15-10/h8H,2-7H2,1H3,(H2,11,13)
InChIKeySXKAPUBCELOIIP-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.14
Rot. Bonds3

About 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine

5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66280341) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66280341
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCCCC1CCN(c2nc(N)ns2)CC1
InChIInChI=1S/C10H18N4S/c1-2-3-8-4-6-14(7-5-8)10-12-9(11)13-15-10/h8H,2-7H2,1H3,(H2,11,13)
InChIKeySXKAPUBCELOIIP-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine (CID 66280341) is 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine is CCCC1CCN(c2nc(N)ns2)CC1.
What is the InChIKey of 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is SXKAPUBCELOIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-3-8-4-6-14(7-5-8)10-12-9(11)13-15-10/h8H,2-7H2,1H3,(H2,11,13).
What are the key properties of 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine?
5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 226.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66280341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).