5-chloro-4-(piperidin-1-ylmethyl)thiadiazole

C8H12ClN3S — CID 1473724

IUPAC5-chloro-4-(piperidin-1-ylmethyl)thiadiazole
SMILESClc1snnc1CN1CCCCC1
InChIInChI=1S/C8H12ClN3S/c9-8-7(10-11-13-8)6-12-4-2-1-3-5-12/h1-6H2
InChIKeyBKTRFKWDXVDIRJ-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.18
Rot. Bonds2

About 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole

5-chloro-4-(piperidin-1-ylmethyl)thiadiazole (PubChem CID 1473724) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(piperidin-1-ylmethyl)thiadiazole
PubChem CID1473724
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name5-chloro-4-(piperidin-1-ylmethyl)thiadiazole
SMILESClc1snnc1CN1CCCCC1
InChIInChI=1S/C8H12ClN3S/c9-8-7(10-11-13-8)6-12-4-2-1-3-5-12/h1-6H2
InChIKeyBKTRFKWDXVDIRJ-UHFFFAOYSA-N
XLogP2.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole (CID 1473724) is 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole is Clc1snnc1CN1CCCCC1.
What is the InChIKey of 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole?
The InChIKey is BKTRFKWDXVDIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c9-8-7(10-11-13-8)6-12-4-2-1-3-5-12/h1-6H2.
What are the key properties of 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole?
5-chloro-4-(piperidin-1-ylmethyl)thiadiazole has a molecular weight of 217.72 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(piperidin-1-ylmethyl)thiadiazole is sourced from PubChem (CID 1473724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).