5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol (CAS 160484-55-9) is a chemical compound with molecular formula C8H13N3OS and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(piperidin-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol, 5-(piperidin-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione, 5-(1-piperidylmethyl)-3H-1,3,4-oxadiazole-2-thione, 5-[(piperidin-1-yl)methyl]-1,3,4-oxadiazole-2-thiol
| Molecular Formula | C8H13N3OS |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 1.71809 |
| Topological Polar Surface Area | 45.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.07793 |
| Heavy Atoms | 13 |
| Complexity | 313.1891 |
Chemical Identifiers
| CAS Number | 160484-55-9 |
|---|---|
| SMILES | C1CCN(CC1)CC2=NNC(=S)O2 |
Product Overview
5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol (CAS 160484-55-9), with molecular formula C8H13N3OS and molecular weight 199.08 g/mol. IUPAC: 5-(piperidin-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 1.71809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol. With a topological polar surface area (TPSA) of 45.06 Ų, 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol is 160484-55-9.
What is the molecular formula of 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol is C8H13N3OS.
What is the molecular weight of 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol is 199.08 g/mol.
Where can I buy 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.