N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide
TL;DR: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide (CAS 713091-28-2) is a chemical compound with molecular formula C20H26N6O4S and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide
Also Known As: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide, N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide, N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butanamide, N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide
| Molecular Formula | C20H26N6O4S |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 2.7123 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.1736 |
| Heavy Atoms | 31 |
| Complexity | 922.0062 |
Chemical Identifiers
| CAS Number | 713091-28-2 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide (CAS 713091-28-2), with molecular formula C20H26N6O4S and molecular weight 446.17 g/mol. IUPAC: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide.
Chemical Property Profile of N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide
Property Insights of N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide
The XLogP value of 2.7123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide. Following Lipinski's Rule of Five, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide has 1 hydrogen bond donor(s) and 8 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-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
The CAS number of N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide is 713091-28-2.
What is the molecular formula of N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
The molecular formula of N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide is C20H26N6O4S.
What is the molecular weight of N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
The molecular weight of N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide is 446.17 g/mol.
Where can I buy N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
You can request a quote for N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.