C176H251F2N35O2S2 — CID 160846442
2-N-benzyl-6-N-tert-butyl-1,3-benzothiazole-2,6-diamine;2-[6-(tert-butylamino)benzimidazol-1-yl]benzamide;6-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2,6-diamine;N-tert-butyl-1-ethylpyrazol-4-amine;N-tert-butyl-4-fluoro-3-(4-methylpiperazin-1-yl)aniline;N-tert-butyl-4-fluoro-3-(1-methylpiperidin-4-yl)aniline;N-tert-butylimidazo[1,2-a]pyridin-6-amine;N-tert-butyl-3-methoxy-1H-indazol-5-amine;N-tert-butyl-3-(1-methylimidazol-2-yl)aniline;N-tert-butyl-3-(1-methylpiperidin-4-yl)aniline;N-tert-butyl-3-phenylbenzimidazol-5-amine;N-tert-butyl-3-piperidin-4-ylaniline (PubChem CID 160846442) has the molecular formula C176H251F2N35O2S2 and a molecular weight of 2991.32 g/mol. Its IUPAC name is 2-N-benzyl-6-N-tert-butyl-1,3-benzothiazole-2,6-diamine;2-[6-(tert-butylamino)benzimidazol-1-yl]benzamide;6-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2,6-diamine;N-tert-butyl-1-ethylpyrazol-4-amine;N-tert-butyl-4-fluoro-3-(4-methylpiperazin-1-yl)aniline;N-tert-butyl-4-fluoro-3-(1-methylpiperidin-4-yl)aniline;N-tert-butylimidazo[1,2-a]pyridin-6-amine;N-tert-butyl-3-methoxy-1H-indazol-5-amine;N-tert-butyl-3-(1-methylimidazol-2-yl)aniline;N-tert-butyl-3-(1-methylpiperidin-4-yl)aniline;N-tert-butyl-3-phenylbenzimidazol-5-amine;N-tert-butyl-3-piperidin-4-ylaniline.
| Compound Name | 2-N-benzyl-6-N-tert-butyl-1,3-benzothiazole-2,6-diamine;2-[6-(tert-butylamino)benzimidazol-1-yl]benzamide;6-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2,6-diamine;N-tert-butyl-1-ethylpyrazol-4-amine;N-tert-butyl-4-fluoro-3-(4-methylpiperazin-1-yl)aniline;N-tert-butyl-4-fluoro-3-(1-methylpiperidin-4-yl)aniline;N-tert-butylimidazo[1,2-a]pyridin-6-amine;N-tert-butyl-3-methoxy-1H-indazol-5-amine;N-tert-butyl-3-(1-methylimidazol-2-yl)aniline;N-tert-butyl-3-(1-methylpiperidin-4-yl)aniline;N-tert-butyl-3-phenylbenzimidazol-5-amine;N-tert-butyl-3-piperidin-4-ylaniline |
|---|---|
| PubChem CID | 160846442 |
| Molecular Formula | C176H251F2N35O2S2 |
| Molecular Weight | 2991.32 g/mol |
| Exact Mass | 2989.00 |
| IUPAC Name | 2-N-benzyl-6-N-tert-butyl-1,3-benzothiazole-2,6-diamine;2-[6-(tert-butylamino)benzimidazol-1-yl]benzamide;6-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2,6-diamine;N-tert-butyl-1-ethylpyrazol-4-amine;N-tert-butyl-4-fluoro-3-(4-methylpiperazin-1-yl)aniline;N-tert-butyl-4-fluoro-3-(1-methylpiperidin-4-yl)aniline;N-tert-butylimidazo[1,2-a]pyridin-6-amine;N-tert-butyl-3-methoxy-1H-indazol-5-amine;N-tert-butyl-3-(1-methylimidazol-2-yl)aniline;N-tert-butyl-3-(1-methylpiperidin-4-yl)aniline;N-tert-butyl-3-phenylbenzimidazol-5-amine;N-tert-butyl-3-piperidin-4-ylaniline |
| SMILES | CC(C)(C)Nc1ccc2nc(NCc3ccccc3)sc2c1.CC(C)(C)Nc1ccc2nccn2c1.CC(C)(C)Nc1ccc2ncn(-c3ccccc3)c2c1.CC(C)(C)Nc1ccc2ncn(-c3ccccc3C(N)=O)c2c1.CC(C)(C)Nc1cccc(C2CCNCC2)c1.CCn1cc(NC(C)(C)C)cn1.CN(C)CCNc1nc2ccc(NC(C)(C)C)cc2s1.CN1CCC(c2cc(NC(C)(C)C)ccc2F)CC1.CN1CCC(c2cccc(NC(C)(C)C)c2)CC1.CN1CCN(c2cc(NC(C)(C)C)ccc2F)CC1.COc1n[nH]c2ccc(NC(C)(C)C)cc12.Cn1ccnc1-c1cccc(NC(C)(C)C)c1 |
| InChI | InChI=1S/C18H20N4O.C18H21N3S.C17H19N3.C16H25FN2.C16H26N2.C15H24FN3.C15H24N4S.C15H24N2.C14H19N3.C12H17N3O.C11H15N3.C9H17N3/c1-18(2,3)21-12-8-9-14-16(10-12)22(11-20-14)15-7-5-4-6-13(15)17(19)23;1-18(2,3)21-14-9-10-15-16(11-14)22-17(20-15)19-12-13-7-5-4-6-8-13;1-17(2,3)19-13-9-10-15-16(11-13)20(12-18-15)14-7-5-4-6-8-14;1-16(2,3)18-13-5-6-15(17)14(11-13)12-7-9-19(4)10-8-12;1-16(2,3)17-15-7-5-6-14(12-15)13-8-10-18(4)11-9-13;1-15(2,3)17-12-5-6-13(16)14(11-12)19-9-7-18(4)8-10-19;1-15(2,3)18-11-6-7-12-13(10-11)20-14(17-12)16-8-9-19(4)5;1-15(2,3)17-14-6-4-5-13(11-14)12-7-9-16-10-8-12;1-14(2,3)16-12-7-5-6-11(10-12)13-15-8-9-17(13)4;1-12(2,3)13-8-5-6-10-9(7-8)11(16-4)15-14-10;1-11(2,3)13-9-4-5-10-12-6-7-14(10)8-9;1-5-12-7-8(6-10-12)11-9(2,3)4/h4-11,21H,1-3H3,(H2,19,23);4-11,21H,12H2,1-3H3,(H,19,20);4-12,19H,1-3H3;5-6,11-12,18H,7-10H2,1-4H3;5-7,12-13,17H,8-11H2,1-4H3;5-6,11,17H,7-10H2,1-4H3;6-7,10,18H,8-9H2,1-5H3,(H,16,17);4-6,11-12,16-17H,7-10H2,1-3H3;5-10,16H,1-4H3;5-7,13H,1-4H3,(H,14,15);4-8,13H,1-3H3;6-7,11H,5H2,1-4H3 |
| InChIKey | SIRYBHDXTKVNLY-UHFFFAOYSA-N |
| XLogP | 40.61 |
| TPSA | 392.01 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2991.32 |
| LogP ≤ 5 | 40.61 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 37 |