3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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

C160H151BrCl10FN29O6S12 — CID 159459158

About 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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 159459158) has the molecular formula C160H151BrCl10FN29O6S12 and a molecular weight of 3414.40 g/mol. Its IUPAC name is 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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.

Molecular Properties

• Compound Name: 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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: 159459158
• Molecular Formula: C160H151BrCl10FN29O6S12
• Molecular Weight: 3414.40 g/mol
• Exact Mass: 3405.51
• IUPAC Name: 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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
• SMILES: COc1c[nH]c2cc(C)ccc12.Cc1c[nH]c2cc(Cl)ccc12.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.Cc1ccc(Cl)nn1.Cc1ccc2c(Br)c[nH]c2c1.Cc1ccc2c(c1)C(N)CCC2.Cc1ccc2cc(Cl)cnc2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1ccc2snc(N)c2c1.Cc1ncc(Cl)cn1.[C-]#[N+]c1c[nH]c2cc(C)ccc12
• InChI: InChI=1S/C11H15N.2C10H8ClN.C10H8N2.C10H11NO.C9H8BrN.C9H8ClN.C9H7ClS.C9H9N3OS.C9H10N2O2S2.C8H7ClN2S.C8H6ClNS.C8H7FN2S.C8H9N3O2S2.C8H8N2S.2C7H6ClNS.2C5H5ClN2/c1-8-5-6-9-3-2-4-11(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;1-7-3-4-8-9(5-7)12-6-10(8)11-2;1-7-3-4-8-9(5-7)11-6-10(8)12-2;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-2-3-7-5-9(10)11-8(7)4-6;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;1-4-2-5-7(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/h5-7,11H,2-4,12H2,1H3;2*2-6H,1H3;3-6,12H,1H3;3-6,11H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-3H,1H3,(H2,10,12)(H2,11,13);3-4H,1-2H3,(H2,10,11);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
• InChIKey: LUJBYXFDCIOIAR-UHFFFAOYSA-N
• XLogP: 48.05
• TPSA: 595.43 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 4
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3414.40
LogP ≤ 5	48.05
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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 159459158) is 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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 COc1c[nH]c2cc(C)ccc12.Cc1c[nH]c2cc(Cl)ccc12.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.Cc1ccc(Cl)nn1.Cc1ccc2c(Br)c[nH]c2c1.Cc1ccc2c(c1)C(N)CCC2.Cc1ccc2cc(Cl)cnc2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1ccc2snc(N)c2c1.Cc1ncc(Cl)cn1.[C-]#[N+]c1c[nH]c2cc(C)ccc12.

What is the InChIKey of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide;3-amino-5-methyl-1,2-benzothiazole-6-sulfonamide;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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 LUJBYXFDCIOIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2C10H8ClN.C10H8N2.C10H11NO.C9H8BrN.C9H8ClN.C9H7ClS.C9H9N3OS.C9H10N2O2S2.C8H7ClN2S.C8H6ClNS.C8H7FN2S.C8H9N3O2S2.C8H8N2S.2C7H6ClNS.2C5H5ClN2/c1-8-5-6-9-3-2-4-11(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;1-7-3-4-8-9(5-7)12-6-10(8)11-2;1-7-3-4-8-9(5-7)11-6-10(8)12-2;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-2-3-7-5-9(10)11-8(7)4-6;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;1-4-2-5-7(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/h5-7,11H,2-4,12H2,1H3;2*2-6H,1H3;3-6,12H,1H3;3-6,11H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-3H,1H3,(H2,10,12)(H2,11,13);3-4H,1-2H3,(H2,10,11);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;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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 3414.40 g/mol, XLogP of 48.05, 4 rotatable bonds, 15 hydrogen bond donors, and 36 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;3-bromo-6-methyl-1H-indole;6-chloro-5-methyl-1,2-benzothiazol-3-amine;2-chloro-6-methyl-1-benzothiophene;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;6-fluoro-5-methyl-1,2-benzothiazol-3-amine;3-isocyano-6-methyl-1H-indole;3-methoxy-6-methyl-1H-indole;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 159459158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).