(E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
TL;DR: (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide (CAS 469872-55-7) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
Also Known As: (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide, (E)-2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide, (2E)-2-cyano-N-(5-methyl(1,3,4-thiadiazol-2-yl))-3-[4-(methylethyl)phenyl]prop -2-enamide, (2E)-2-cyano-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-[4-(propan-2-yl)phenyl]prop-2-enamide
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 469872-55-7 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)/C(=C/C2=CC=C(C=C2)C(C)C)/C#N |
| InChIKey | XJBFJKAHVMAQAW-RIYZIHGNSA-N |
Product Overview
(E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide (CAS 469872-55-7), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: (E)-2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Property Insights of (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
The XLogP value of 4.0 indicates that (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide has 1 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 (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide?
The CAS number of (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide is 469872-55-7.
What is the molecular formula of (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide?
The molecular formula of (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide is C16H16N4OS.
What is the molecular weight of (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide?
The molecular weight of (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide is 312.10 g/mol.
Where can I buy (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide?
You can request a quote for (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(4-isopropylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.