3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole

C12H19ClN4S — CID 61244082

IUPAC3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESClc1nsnc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H19ClN4S/c13-11-12(15-18-14-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2
InChIKeyBEEMGPBWZNWHFT-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.65
Rot. Bonds2

About 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole

3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 61244082) has the molecular formula C12H19ClN4S and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID61244082
Molecular FormulaC12H19ClN4S
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESClc1nsnc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H19ClN4S/c13-11-12(15-18-14-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2
InChIKeyBEEMGPBWZNWHFT-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole (CID 61244082) is 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole is Clc1nsnc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is BEEMGPBWZNWHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4S/c13-11-12(15-18-14-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2.
What are the key properties of 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole?
3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 286.83 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 61244082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).