![3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide structure](/static/products/834/834890-13-0.png)
3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
TL;DR: 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide (CAS 834890-13-0) is a chemical compound with molecular formula C8H11N3OS and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-enamide
Also Known As: ASN 05668267, 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-enamide, 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
| Molecular Formula | C8H11N3OS |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 1.75122 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.06229 |
| Heavy Atoms | 13 |
| Complexity | 338.91327 |
Chemical Identifiers
| CAS Number | 834890-13-0 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)C=C(C)C |
Product Overview
3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide (CAS 834890-13-0), with molecular formula C8H11N3OS and molecular weight 197.06 g/mol. IUPAC: 3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)but-2-enamide.
Chemical Property Profile of 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
Property Insights of 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
The XLogP value of 1.75122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide. With a topological polar surface area (TPSA) of 54.88 Ų, 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide 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 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide?
The CAS number of 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide is 834890-13-0.
What is the molecular formula of 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide?
The molecular formula of 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide is C8H11N3OS.
What is the molecular weight of 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide?
The molecular weight of 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide is 197.06 g/mol.
Where can I buy 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide?
You can request a quote for 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-but-2-enoic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.