N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide
TL;DR: N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide (CAS 328071-89-2) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)oxamide
Also Known As: N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide, N'-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)oxamide, N1-(benzo[d]thiazol-2-yl)-N2-(pyridin-4-ylmethyl)oxalamide
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 1.9462 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 783.5352 |
Chemical Identifiers
| CAS Number | 328071-89-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)C(=O)NCC3=CC=NC=C3 |
Product Overview
N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide (CAS 328071-89-2), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: N'-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)oxamide.
Chemical Property Profile of N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide
Property Insights of N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide
The XLogP value of 1.9462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide. Following Lipinski's Rule of Five, N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide has 2 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 N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide?
The CAS number of N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide is 328071-89-2.
What is the molecular formula of N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide?
The molecular formula of N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide is C15H12N4O2S.
What is the molecular weight of N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide?
The molecular weight of N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide is 312.07 g/mol.
Where can I buy N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide?
You can request a quote for N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N-1,3-benzothiazol-2-yl-N'-(4-pyridinylmethyl)ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.