4-(piperidin-1-ylmethyl)thiadiazole

C8H13N3S — CID 130165444

IUPAC4-(piperidin-1-ylmethyl)thiadiazole
SMILESc1snnc1CN1CCCCC1
InChIInChI=1S/C8H13N3S/c1-2-4-11(5-3-1)6-8-7-12-10-9-8/h7H,1-6H2
InChIKeyJYIBZXXKXGVNLL-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.52
Rot. Bonds2

About 4-(piperidin-1-ylmethyl)thiadiazole

4-(piperidin-1-ylmethyl)thiadiazole (PubChem CID 130165444) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)thiadiazole.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)thiadiazole
PubChem CID130165444
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-(piperidin-1-ylmethyl)thiadiazole
SMILESc1snnc1CN1CCCCC1
InChIInChI=1S/C8H13N3S/c1-2-4-11(5-3-1)6-8-7-12-10-9-8/h7H,1-6H2
InChIKeyJYIBZXXKXGVNLL-UHFFFAOYSA-N
XLogP1.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)thiadiazole?
The IUPAC name of 4-(piperidin-1-ylmethyl)thiadiazole (CID 130165444) is 4-(piperidin-1-ylmethyl)thiadiazole.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)thiadiazole?
The canonical SMILES for 4-(piperidin-1-ylmethyl)thiadiazole is c1snnc1CN1CCCCC1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)thiadiazole?
The InChIKey is JYIBZXXKXGVNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-4-11(5-3-1)6-8-7-12-10-9-8/h7H,1-6H2.
What are the key properties of 4-(piperidin-1-ylmethyl)thiadiazole?
4-(piperidin-1-ylmethyl)thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)thiadiazole is sourced from PubChem (CID 130165444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).