![(6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/896/896079-03-1.png)
(6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 896079-03-1) is a chemical compound with molecular formula C18H12N6OS3 and molecular weight 424.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-2-methylsulfanyl-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-5-imino-2-methylsulfanyl-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-5-imino-2-(methylthio)-6-((6-phenylimidazo[2,1-b]thiazol-5-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C18H12N6OS3 |
|---|---|
| Molecular Weight | 424.02 g/mol |
| LogP | 4.00247 |
| Topological Polar Surface Area | 86.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.02347 |
| Heavy Atoms | 28 |
| Complexity | 1220.6655 |
Chemical Identifiers
| CAS Number | 896079-03-1 |
|---|---|
| SMILES | CSC1=NN2C(=N)/C(=C\C3=C(N=C4N3C=CS4)C5=CC=CC=C5)/C(=O)N=C2S1 |
Product Overview
(6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 896079-03-1), with molecular formula C18H12N6OS3 and molecular weight 424.02 g/mol. IUPAC: (6E)-5-imino-2-methylsulfanyl-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 4.00247 indicates that (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 7 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 (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 896079-03-1.
What is the molecular formula of (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C18H12N6OS3.
What is the molecular weight of (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 424.02 g/mol.
Where can I buy (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-5-imino-2-(methylsulfanyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.