4-piperidin-4-yl-5-propylthiadiazole

C10H17N3S — CID 20613883

IUPAC4-piperidin-4-yl-5-propylthiadiazole
SMILESCCCc1snnc1C1CCNCC1
InChIInChI=1S/C10H17N3S/c1-2-3-9-10(12-13-14-9)8-4-6-11-7-5-8/h8,11H,2-7H2,1H3
InChIKeyWBLHPZBORCGPBB-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.96
Rot. Bonds3

About 4-piperidin-4-yl-5-propylthiadiazole

4-piperidin-4-yl-5-propylthiadiazole (PubChem CID 20613883) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-piperidin-4-yl-5-propylthiadiazole.

Molecular Properties

Compound Name4-piperidin-4-yl-5-propylthiadiazole
PubChem CID20613883
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-piperidin-4-yl-5-propylthiadiazole
SMILESCCCc1snnc1C1CCNCC1
InChIInChI=1S/C10H17N3S/c1-2-3-9-10(12-13-14-9)8-4-6-11-7-5-8/h8,11H,2-7H2,1H3
InChIKeyWBLHPZBORCGPBB-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-5-propylthiadiazole?
The IUPAC name of 4-piperidin-4-yl-5-propylthiadiazole (CID 20613883) is 4-piperidin-4-yl-5-propylthiadiazole.
What is the SMILES notation for 4-piperidin-4-yl-5-propylthiadiazole?
The canonical SMILES for 4-piperidin-4-yl-5-propylthiadiazole is CCCc1snnc1C1CCNCC1.
What is the InChIKey of 4-piperidin-4-yl-5-propylthiadiazole?
The InChIKey is WBLHPZBORCGPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-3-9-10(12-13-14-9)8-4-6-11-7-5-8/h8,11H,2-7H2,1H3.
What are the key properties of 4-piperidin-4-yl-5-propylthiadiazole?
4-piperidin-4-yl-5-propylthiadiazole has a molecular weight of 211.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-5-propylthiadiazole is sourced from PubChem (CID 20613883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).