![N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide structure](/static/products/519/519145-98-3.png)
N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide
TL;DR: N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide (CAS 519145-98-3) is a chemical compound with molecular formula C13H16N4OS and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-methylbutanamide
Also Known As: Aminoglycosides, 2, N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide, N-(1,3-BENZOTHIAZOL-2-YL)-N''-(3-METHYLBUTANOYL)GUANIDINE, N-[(E)-amino(1,3-benzothiazol-2-ylimino)methyl]-3-methylbutanamide, N-[(E)-N''-(1,3-benzothiazol-2-yl)amidino]-3-methyl-butyramide
| Molecular Formula | C13H16N4OS |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 2.4048 |
| Topological Polar Surface Area | 80.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.1045 |
| Heavy Atoms | 19 |
| Complexity | 584.8857 |
Chemical Identifiers
| CAS Number | 519145-98-3 |
|---|---|
| SMILES | CC(C)CC(=O)N/C(=N/C1=NC2=CC=CC=C2S1)/N |
Product Overview
N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide (CAS 519145-98-3), with molecular formula C13H16N4OS and molecular weight 276.10 g/mol. IUPAC: N-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-methylbutanamide.
Chemical Property Profile of N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide
Property Insights of N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide
The XLogP value of 2.4048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide. The TPSA of 80.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide. Following Lipinski's Rule of Five, N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide has 2 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 N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide?
The CAS number of N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide is 519145-98-3.
What is the molecular formula of N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide?
The molecular formula of N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide is C13H16N4OS.
What is the molecular weight of N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide?
The molecular weight of N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide is 276.10 g/mol.
Where can I buy N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide?
You can request a quote for N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.