TL;DR: 1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride (CAS 111915-72-1) is a chemical compound with molecular formula C12H24Cl2N4O2S2 and molecular weight 390.07178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]butane-2,3-diol;dihydrochloride
Also Known As: 1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride, 2,3-Butanediol, 1,4-bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-, dihydrochloride, N,N'-Bis(5-methyl-delta(sup 2)-thiazolin-2-yl)-1,4-diaminobutane-2,3-diol dihydrochloride, 1,4-bis[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]butane-2,3-diol dihydrochloride, 1,4-Bis[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]butane-2,3-diol--hydrogen chloride (1/2)
| Molecular Formula | C12H24Cl2N4O2S2 |
| Molecular Weight | 390.07178 g/mol |
| XLogP | 0.7136 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.07178 Da |
| Heavy Atoms | 22 |
| Complexity | 356.0 |
| SMILES | CC1CN=C(S1)NCC(C(CNC2=NCC(S2)C)O)O.Cl.Cl |
| InChIKey | SCUDUFVKMCKMEY-UHFFFAOYSA-N |
The XLogP value of 0.7136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride. The TPSA of 140.0 Ų indicates high polarity, suggesting 1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride is 111915-72-1.
The molecular formula of 1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride is C12H24Cl2N4O2S2.
The molecular weight of 1,4-Bis((4,5-dihydro-5-methyl-2-thiazolyl)amino)-2,3-butanediol dihydrochloride is 390.07178 g/mol.
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