Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride
TL;DR: Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride (CAS 30096-82-3) is a chemical compound with molecular formula C12H16ClN3O2S2 and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-[[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine;hydrochloride
Also Known As: 4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride, Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride, 4-Thiazolemethanamine, N,N-diethyl-2-(5-nitro-2-thienyl)-, monohydrochloride, N-ethyl-N-[[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine hydrochloride, N-Ethyl-N-{[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methyl}ethanamine--hydrogen chloride (1/1)
| Molecular Formula | C12H16ClN3O2S2 |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 4.0434 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.03726 |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 30096-82-3 |
|---|---|
| SMILES | CCN(CC)CC1=CSC(=N1)C2=CC=C(S2)[N+](=O)[O-].Cl |
| InChIKey | IVSJNRFPOJVXRG-UHFFFAOYSA-N |
Product Overview
Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride (CAS 30096-82-3), with molecular formula C12H16ClN3O2S2 and molecular weight 333.04 g/mol. IUPAC: N-ethyl-N-[[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine;hydrochloride.
Chemical Property Profile of Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride
Property Insights of Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride
The XLogP value of 4.0434 indicates that Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride. Following Lipinski's Rule of Five, Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 6 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 Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride?
The CAS number of Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride is 30096-82-3.
What is the molecular formula of Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride?
The molecular formula of Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride is C12H16ClN3O2S2.
What is the molecular weight of Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride?
The molecular weight of Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride is 333.04 g/mol.
Where can I buy Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride?
You can request a quote for Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.