TL;DR: 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CAS 1022251-60-0) is a chemical compound with molecular formula C13H13F3N2OS and molecular weight 302.07007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
Also Known As: 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine, (4,4-DIMETHYL-3-METHYLENE(2,5-THIAZOLINYL))(4-(TRIFLUOROMETHOXY)PHENYL)AMINE, 4,4-dimethyl-5-methylene-N-[4-(trifluoromethoxy)phenyl]thiazol-2-amine, 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine, C13H13F3N2OS
| Molecular Formula | C13H13F3N2OS |
| Molecular Weight | 302.07007 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.07007 Da |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
| SMILES | CC1(C(=C)SC(=N1)NC2=CC=C(C=C2)OC(F)(F)F)C |
| InChIKey | UBCNRXXEUZIWGO-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is 1022251-60-0.
The molecular formula of 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is C13H13F3N2OS.
The molecular weight of 4,4-dimethyl-5-methylidene-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is 302.07007 g/mol.
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