N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
TL;DR: N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide (CAS 1164468-05-6) is a chemical compound with molecular formula C12H13FN2OS and molecular weight 252.07326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
Also Known As: N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide, F1814-1795, N-[(2Z)-4-fluoro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]butanamide, (Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)butyramide
Technical Specifications
| Molecular Formula | C12H13FN2OS |
| Molecular Weight | 252.07326 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07326 Da |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
| SMILES | CCCC(=O)N=C1N(C2=C(C=CC=C2S1)F)C |
| InChIKey | CQMSJPUAVGBAMK-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
Property Insights of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide. With a topological polar surface area (TPSA) of 58.0 Ų, N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
The CAS number of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide is 1164468-05-6.
What is the molecular formula of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
The molecular formula of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide is C12H13FN2OS.
What is the molecular weight of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
The molecular weight of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide is 252.07326 g/mol.
Where can I buy N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
You can request a quote for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide?
Yes, CoreyChem provides custom synthesis services for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.