TL;DR: 7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole (CAS 1049756-03-7) is a chemical compound with molecular formula C17H21Cl2N3S and molecular weight 369.0833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-2-methyl-4-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-b]indole;hydrochloride
Also Known As: 7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole, 7-chloro-2-methyl-4-(2-(piperidin-1-yl)ethyl)-4H-thiazolo[5,4-b]indole hydrochloride, REGID_for_CID_9551825
| Molecular Formula | C17H21Cl2N3S |
| Molecular Weight | 369.0833 g/mol |
| XLogP | 5.12052 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.0833 Da |
| Heavy Atoms | 23 |
| Complexity | 390.0 |
| SMILES | CC1=NC2=C(S1)N(C3=C2C=C(C=C3)Cl)CCN4CCCCC4.Cl |
| InChIKey | YGGIVUNQMNXURT-UHFFFAOYSA-N |
The XLogP value of 5.12052 indicates that 7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole is 1049756-03-7.
The molecular formula of 7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole is C17H21Cl2N3S.
The molecular weight of 7-Chloro-2-methyl-4-(2-piperidin-1-yl-ethyl)-4H-thiazolo[5,4-b]indole is 369.0833 g/mol.
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