TL;DR: 1H-Indole-3-butanamide, N-(4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl)- (CAS 161806-43-5) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4-(1H-indol-3-yl)butanamide
Also Known As: N-(4-(2-Aminothiazol-4-yl)phenyl)-4-(indol-3-yl)butyramide, N-(4-(2-Amino-4,5-dihydro-4-thiazolyl)phenyl)-1H-indole-3-butanamide, 1H-Indole-3-butanamide, N-(4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl)-, N-[4-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4-(1H-indol-3-yl)butanamide, N-[4-(2-Amino-2-thiazolin-4-yl)phenyl]-1H-indole-3-butanamide
| Molecular Formula | C21H22N4OS |
| Molecular Weight | 378.15143 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.15143 Da |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
| SMILES | C1C(N=C(S1)N)C2=CC=C(C=C2)NC(=O)CCCC3=CNC4=CC=CC=C43 |
| InChIKey | LDBRTKUVBPJCHD-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1H-Indole-3-butanamide, N-(4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-butanamide, N-(4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl)-. Following Lipinski's Rule of Five, 1H-Indole-3-butanamide, N-(4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl)- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Indole-3-butanamide, N-(4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl)- is 161806-43-5.
The molecular formula of 1H-Indole-3-butanamide, N-(4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl)- is C21H22N4OS.
The molecular weight of 1H-Indole-3-butanamide, N-(4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl)- is 378.15143 g/mol.
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