(E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide
TL;DR: (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide (CAS 477181-54-7) is a chemical compound with molecular formula C12H12F3N3O2S and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-thiazol-2-yl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide
Also Known As: (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide, N-(1,3-thiazol-2-yl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide, N-(1,3-thiazol-2-yl)-1-[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]pyrrolidine-2-carboxamide, N-(1,3-thiazol-2-yl)-1-[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]-2-pyrrolidinecarboxamide, N-1,3-Thiazol-2-yl-1-[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]prolinamide
| Molecular Formula | C12H12F3N3O2S |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 2.1911 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06024 |
| Heavy Atoms | 21 |
| Complexity | 542.44257 |
Chemical Identifiers
| CAS Number | 477181-54-7 |
|---|---|
| SMILES | C1CC(N(C1)/C=C/C(=O)C(F)(F)F)C(=O)NC2=NC=CS2 |
Product Overview
(E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide (CAS 477181-54-7), with molecular formula C12H12F3N3O2S and molecular weight 319.06 g/mol. IUPAC: N-(1,3-thiazol-2-yl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide
Property Insights of (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide
The XLogP value of 2.1911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide. Following Lipinski's Rule of Five, (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide 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)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
The CAS number of (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide is 477181-54-7.
What is the molecular formula of (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
The molecular formula of (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide is C12H12F3N3O2S.
What is the molecular weight of (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
The molecular weight of (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide is 319.06 g/mol.
Where can I buy (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
You can request a quote for (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(thiazol-2-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.