(2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
TL;DR: (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide (CAS 321966-24-9) is a chemical compound with molecular formula C12H10N4O3S and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Also Known As: (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide, (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)acrylamide, (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)acrylamide, (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide, (2E)-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3-nitrophenyl)prop-2-enamide
| Molecular Formula | C12H10N4O3S |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.04736 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 321966-24-9 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | VICFGNKCAMXZPP-AATRIKPKSA-N |
Product Overview
(2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide (CAS 321966-24-9), with molecular formula C12H10N4O3S and molecular weight 290.05 g/mol. IUPAC: (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Property Insights of (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide 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 (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
The CAS number of (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide is 321966-24-9.
What is the molecular formula of (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
The molecular formula of (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide is C12H10N4O3S.
What is the molecular weight of (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
The molecular weight of (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide is 290.05 g/mol.
Where can I buy (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
You can request a quote for (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.