N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide
TL;DR: N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide (CAS 500103-66-2) is a chemical compound with molecular formula C18H16ClN5O2S and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[5-[(3-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide, N-benzyl-2-(5-{[(3-chlorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)acetamide, N-benzyl-2-[5-[(3-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide, N-benzyl-2-[(5Z)-5-{[(3-chlorophenyl)carbamoyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C18H16ClN5O2S |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 3.6944 |
| Topological Polar Surface Area | 96.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.07132 |
| Heavy Atoms | 27 |
| Complexity | 932.2661 |
Chemical Identifiers
| CAS Number | 500103-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide (CAS 500103-66-2), with molecular formula C18H16ClN5O2S and molecular weight 401.07 g/mol. IUPAC: N-benzyl-2-[5-[(3-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide
Property Insights of N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide
The XLogP value of 3.6944 indicates that N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.01 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide has 3 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 N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide?
The CAS number of N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide is 500103-66-2.
What is the molecular formula of N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide?
The molecular formula of N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide is C18H16ClN5O2S.
What is the molecular weight of N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide?
The molecular weight of N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide is 401.07 g/mol.
Where can I buy N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide?
You can request a quote for N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(5-(3-(3-chlorophenyl)ureido)-1,3,4-thiadiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.