About 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 159625725) has the molecular formula C207H195Cl13F2N30O6S15
and a molecular weight of 4178.93 g/mol. Its IUPAC name is 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
Frequently Asked Questions
What is the IUPAC name of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 159625725) is 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1c[nH]c2cc(Cl)ccc12.Cc1c[nH]c2ccc(Cl)cc12.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2c(N)nsc2cc1C(N)=O.Cc1cc2c(N)nsc2cc1Cl.Cc1cc2c(N)nsc2cc1F.Cc1cc2c(N)nsc2cc1S(C)(=O)=O.Cc1cc2c(N)nsc2cc1S(N)(=O)=O.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(F)cc2s1.Cc1ccc(Cl)nn1.Cc1ccc2[nH]cc(Cl)c2c1.Cc1ccc2c(c1)C(N)CCC2.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(C)sc2n1.Cc1ccc2cc(Cl)cnc2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2snc(N)c2c1.Cc1ncc(Cl)cn1.
What is the InChIKey of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MOLQYJCDSUMSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C11H15N.2C10H8ClN.C10H10O.C10H10S.4C9H8ClN.C9H7ClS.C9H7FS.C9H9N3OS.C9H10N2O2S2.C9H9NS.C8H7ClN2S.C8H6ClNS.C8H7FN2S.C8H9N3O2S2.C8H8N2S.2C7H6ClNS.2C5H5ClN2/c1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-8-5-6-9-3-2-4-11(12)10(9)7-8;1-7-2-3-8-5-9(11)6-12-10(8)4-7;1-7-2-3-8-5-10(11)12-6-9(8)4-7;2*1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-5-11-9-3-2-7(10)4-8(6)9;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-5-9(10)11-8(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-4-2-6-7(14-12-8(6)10)3-5(4)9(11)13;1-5-3-6-7(14-11-9(6)10)4-8(5)15(2,12)13;1-6-3-4-8-5-7(2)11-9(8)10-6;1-4-2-5-7(3-6(4)9)12-11-8(5)10;1-5-2-3-6-4-7(9)11-8(6)10-5;1-4-2-5-7(3-6(4)9)12-11-8(5)10;1-4-2-5-6(14-11-8(5)9)3-7(4)15(10,12)13;1-5-2-3-7-6(4-5)8(9)10-11-7;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4/h3-7H,1-2H3;5-7,11H,2-4,12H2,1H3;2*2-6H,1H3;2*3-6H,1-2H3;4*2-5,11H,1H3;2*2-5H,1H3;2-3H,1H3,(H2,10,12)(H2,11,13);3-4H,1-2H3,(H2,10,11);3-5H,1-2H3;2-3H,1H3,(H2,10,11);2-4H,1H3;2-3H,1H3,(H2,10,11);2-3H,1H3,(H2,9,11)(H2,10,12,13);2-4H,1H3,(H2,9,10);2*2-3,9H,1H3;2*2-3H,1H3.
What are the key properties of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 4178.93 g/mol, XLogP of 64.37, 3 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;3-chloro-7-methylisoquinoline;3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;3-chloro-7-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;6-fluoro-2-methyl-1-benzothiophene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-6-methylsulfonyl-1,2-benzothiazol-3-amine;7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 159625725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).