TL;DR: N(sup 3),N(sup 5)-Bis(3-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2H,4H)-diimine (CAS 118489-23-9) is a chemical compound with molecular formula C18H20N4S and molecular weight 324.14087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethyl-3-N,5-N-bis(3-methylphenyl)-1,2,4-thiadiazolidine-3,5-diimine
Also Known As: N(sup 3),N(sup 5)-Bis(3-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2H,4H)-diimine, 1,2,4-Thiadiazole-3,5(2H,4H)-diimine, N(sup 3),N(sup 5)-bis(3-methylphenyl)-2,4-dimethyl-, Benzenamine, N,N'-(2,4-dimethyl-1,2,4-thiadiazolidine-3,5-diylidene)bis(3-methyl-, 2,4-Dimethyl-3,5-bis[(3-methylphenyl)imino]-1,2,4-thiadiazolidine, 2,4-dimethyl-3-N,5-N-bis(3-methylphenyl)-1,2,4-thiadiazolidine-3,5-diimine
| Molecular Formula | C18H20N4S |
| Molecular Weight | 324.14087 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.14087 Da |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
| SMILES | CC1=CC(=CC=C1)N=C2N(C(=NC3=CC=CC(=C3)C)SN2C)C |
| InChIKey | GAAQAVGYVLCBGG-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N(sup 3),N(sup 5)-Bis(3-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2H,4H)-diimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, N(sup 3),N(sup 5)-Bis(3-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2H,4H)-diimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N(sup 3),N(sup 5)-Bis(3-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2H,4H)-diimine has 0 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 N(sup 3),N(sup 5)-Bis(3-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2H,4H)-diimine is 118489-23-9.
The molecular formula of N(sup 3),N(sup 5)-Bis(3-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2H,4H)-diimine is C18H20N4S.
The molecular weight of N(sup 3),N(sup 5)-Bis(3-methylphenyl)-2,4-dimethyl-1,2,4-thiadiazole-3,5(2H,4H)-diimine is 324.14087 g/mol.
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