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

C12H19ClN4S — CID 63169572

IUPAC5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole
SMILESClc1snnc1CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C12H19ClN4S/c13-12-11(14-15-18-12)9-16-7-4-10(8-16)17-5-2-1-3-6-17/h10H,1-9H2
InChIKeyBWQTUNQZOMHMFB-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.25
Rot. Bonds3

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

5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole (PubChem CID 63169572) has the molecular formula C12H19ClN4S and a molecular weight of 286.83 g/mol. Its IUPAC name is 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole
PubChem CID63169572
Molecular FormulaC12H19ClN4S
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole
SMILESClc1snnc1CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C12H19ClN4S/c13-12-11(14-15-18-12)9-16-7-4-10(8-16)17-5-2-1-3-6-17/h10H,1-9H2
InChIKeyBWQTUNQZOMHMFB-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole (CID 63169572) is 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole is Clc1snnc1CN1CCC(N2CCCCC2)C1.
What is the InChIKey of 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole?
The InChIKey is BWQTUNQZOMHMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4S/c13-12-11(14-15-18-12)9-16-7-4-10(8-16)17-5-2-1-3-6-17/h10H,1-9H2.
What are the key properties of 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole has a molecular weight of 286.83 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 63169572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).