![3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione structure](/static/products/4462/446269-71-2.webp)
3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione
TL;DR: 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione (CAS 446269-71-2) is a chemical compound with molecular formula C12H11N3OS2 and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-1,3-benzothiazole-2-thione
Also Known As: 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione, 3-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-1,3-benzothiazole-2-thione, 3-{[(5-methylisoxazol-3-yl)amino]methyl}-3-hydrobenzothiazole-2-thione
| Molecular Formula | C12H11N3OS2 |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 3.79831 |
| Topological Polar Surface Area | 42.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.03436 |
| Heavy Atoms | 18 |
| Complexity | 740.9484 |
Chemical Identifiers
| CAS Number | 446269-71-2 |
|---|---|
| SMILES | CC1=CC(=NO1)NCN2C3=CC=CC=C3SC2=S |
Product Overview
3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione (CAS 446269-71-2), with molecular formula C12H11N3OS2 and molecular weight 277.03 g/mol. IUPAC: 3-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione
Property Insights of 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione
The XLogP value of 3.79831 indicates that 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.99 Ų, 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 5 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-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione?
The CAS number of 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione is 446269-71-2.
What is the molecular formula of 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione?
The molecular formula of 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione is C12H11N3OS2.
What is the molecular weight of 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione?
The molecular weight of 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione is 277.03 g/mol.
Where can I buy 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione?
You can request a quote for 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(5-methyl-1,2-oxazol-3-yl)amino]methyl}-1,3-benzothiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.