![N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide structure](/static/products/7906/790681-63-9.webp)
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
TL;DR: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CAS 790681-63-9) is a chemical compound with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide, N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-mesitylacetamide, N-(4-(isothiocyanatomethyl)-1,3-thiazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide, 101-572-5, RefChem:827052
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 4.35576 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 737.4966 |
Chemical Identifiers
| CAS Number | 790681-63-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N(C2=NC(=CS2)CN=C=S)C(=O)C)C |
Product Overview
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CAS 790681-63-9), with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol. IUPAC: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
Property Insights of N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
The XLogP value of 4.35576 indicates that N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has 0 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-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The CAS number of N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is 790681-63-9.
What is the molecular formula of N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The molecular formula of N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is C16H17N3OS2.
What is the molecular weight of N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The molecular weight of N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is 331.08 g/mol.
Where can I buy N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
You can request a quote for N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.