4-(piperidin-1-ylmethyl)thiadiazol-5-amine

C8H14N4S — CID 62184620

IUPAC4-(piperidin-1-ylmethyl)thiadiazol-5-amine
SMILESNc1snnc1CN1CCCCC1
InChIInChI=1S/C8H14N4S/c9-8-7(10-11-13-8)6-12-4-2-1-3-5-12/h1-6,9H2
InChIKeyLSGCLYNBAHHUEP-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.11
Rot. Bonds2

About 4-(piperidin-1-ylmethyl)thiadiazol-5-amine

4-(piperidin-1-ylmethyl)thiadiazol-5-amine (PubChem CID 62184620) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)thiadiazol-5-amine
PubChem CID62184620
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-(piperidin-1-ylmethyl)thiadiazol-5-amine
SMILESNc1snnc1CN1CCCCC1
InChIInChI=1S/C8H14N4S/c9-8-7(10-11-13-8)6-12-4-2-1-3-5-12/h1-6,9H2
InChIKeyLSGCLYNBAHHUEP-UHFFFAOYSA-N
XLogP1.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)thiadiazol-5-amine?
The IUPAC name of 4-(piperidin-1-ylmethyl)thiadiazol-5-amine (CID 62184620) is 4-(piperidin-1-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(piperidin-1-ylmethyl)thiadiazol-5-amine is Nc1snnc1CN1CCCCC1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)thiadiazol-5-amine?
The InChIKey is LSGCLYNBAHHUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c9-8-7(10-11-13-8)6-12-4-2-1-3-5-12/h1-6,9H2.
What are the key properties of 4-(piperidin-1-ylmethyl)thiadiazol-5-amine?
4-(piperidin-1-ylmethyl)thiadiazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62184620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).