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

C7H12N4S — CID 65276039

IUPAC1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine
SMILESNC1CCCN(c2ncns2)C1
InChIInChI=1S/C7H12N4S/c8-6-2-1-3-11(4-6)7-9-5-10-12-7/h5-6H,1-4,8H2
InChIKeyZKCKSVIELRVPKI-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.47
Rot. Bonds1

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

1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine (PubChem CID 65276039) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine
PubChem CID65276039
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine
SMILESNC1CCCN(c2ncns2)C1
InChIInChI=1S/C7H12N4S/c8-6-2-1-3-11(4-6)7-9-5-10-12-7/h5-6H,1-4,8H2
InChIKeyZKCKSVIELRVPKI-UHFFFAOYSA-N
XLogP0.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The IUPAC name of 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine (CID 65276039) is 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine.
What is the SMILES notation for 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The canonical SMILES for 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine is NC1CCCN(c2ncns2)C1.
What is the InChIKey of 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine?
The InChIKey is ZKCKSVIELRVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c8-6-2-1-3-11(4-6)7-9-5-10-12-7/h5-6H,1-4,8H2.
What are the key properties of 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine?
1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine has a molecular weight of 184.27 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-thiadiazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 65276039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).