LNJ
Summary
| Name: | 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine |
| Formula: | C17 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 296.387 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine |
| OpenEye OEToolkits | 2.0.7 | 4-[4-[(4-methoxyphenyl)methyl]phenyl]-1,3-thiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(c1nc(sc1)N)ccc2Cc3ccc(cc3)OC |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19) |
| InChIKey | InChI | 1.03 | GGCCOFFVKJCRKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cc2ccc(cc2)c3csc(N)n3)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Cc2ccc(cc2)c3csc(N)n3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N |
