![N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide structure](/static/products/5191/519170-65-1.webp)
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CAS 519170-65-1) is a chemical compound with molecular formula C11H6F3N3O3S and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: BAS 05023806, N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolen-5-yl-N-[5-(trifluoromethyl)(1,3,4-thiadiazol-2-yl) ]carboxamide
| Molecular Formula | C11H6F3N3O3S |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.0082 |
| Heavy Atoms | 21 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 519170-65-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)C(F)(F)F |
| InChIKey | DOAWWICODINCIN-UHFFFAOYSA-N |
Product Overview
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CAS 519170-65-1), with molecular formula C11H6F3N3O3S and molecular weight 317.01 g/mol. IUPAC: N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide has 1 hydrogen bond donor(s) and 9 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 N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is 519170-65-1.
What is the molecular formula of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is C11H6F3N3O3S.
What is the molecular weight of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is 317.01 g/mol.
Where can I buy N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.