5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole

C10H16ClN3S — CID 43431270

IUPAC5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole
SMILESCCC1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H16ClN3S/c1-2-8-4-3-5-14(6-8)7-9-10(11)15-13-12-9/h8H,2-7H2,1H3
InChIKeyKIRLXXCSINKOEC-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.81
Rot. Bonds3

About 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole

5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole (PubChem CID 43431270) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole
PubChem CID43431270
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole
SMILESCCC1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H16ClN3S/c1-2-8-4-3-5-14(6-8)7-9-10(11)15-13-12-9/h8H,2-7H2,1H3
InChIKeyKIRLXXCSINKOEC-UHFFFAOYSA-N
XLogP2.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole (CID 43431270) is 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole is CCC1CCCN(Cc2nnsc2Cl)C1.
What is the InChIKey of 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole?
The InChIKey is KIRLXXCSINKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-2-8-4-3-5-14(6-8)7-9-10(11)15-13-12-9/h8H,2-7H2,1H3.
What are the key properties of 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole has a molecular weight of 245.78 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 43431270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).