N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole

C200H186BrCl3F4N32OS6 — CID 161419665

About N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole

N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 161419665) has the molecular formula C200H186BrCl3F4N32OS6 and a molecular weight of 3508.57 g/mol. Its IUPAC name is N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
• PubChem CID: 161419665
• Molecular Formula: C200H186BrCl3F4N32OS6
• Molecular Weight: 3508.57 g/mol
• Exact Mass: 3503.20
• IUPAC Name: N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
• SMILES: CC1CCC(c2ccccc2)CC1.Cc1cc(-c2ccccc2)n[nH]1.Cc1cc2ccccc2c(Nc2cc3ccccc3c(Br)n2)n1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)NCCC2.Cc1ccc2ccccc2n1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nonc2c1.Cc1ccc2nsnc2c1.Cc1cccc2cccnc12.Cc1cccc2ncccc12.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1.Cc1nc2c(Cl)cccc2s1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nc2ccccc2s1.Cc1ncc(Cl)cn1.Cc1nccc2ccccc12.Cc1nnc(C(F)(F)F)s1
• InChI: InChI=1S/C19H14BrN3.C13H18.C10H10N2.2C10H9N.C10H13N.5C10H9N.2C8H6ClNS.C8H6FNS.2C8H8N2.C8H7NS.C7H7N3.C7H6N2O.C7H6N2S.C5H5ClN2.C4H3F3N2S/c1-12-10-13-6-3-5-9-16(13)19(21-12)23-17-11-14-7-2-4-8-15(14)18(20)22-17;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-8-6(9)3-2-4-7(8)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6;3*1-5-2-3-6-7(4-5)9-10-8-6;1-4-7-2-5(6)3-8-4;1-2-8-9-3(10-2)4(5,6)7/h2-11H,1H3,(H,21,22,23);2-6,11,13H,7-10H2,1H3;2-7H,1H3,(H,11,12);2*2-7H,1H3;4-5,7,11H,2-3,6H2,1H3;5*2-7H,1H3;3*2-4H,1H3;2*2-5H,1H3,(H,9,10);2-5H,1H3;2-4H,1H3,(H,8,9,10);2*2-4H,1H3;2-3H,1H3;1H3
• InChIKey: VWODFNLTMNYKNW-UHFFFAOYSA-N
• XLogP: 55.83
• TPSA: 435.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 4
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3508.57
LogP ≤ 5	55.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?

The IUPAC name of N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 161419665) is N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

What is the SMILES notation for N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?

The canonical SMILES for N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole is CC1CCC(c2ccccc2)CC1.Cc1cc(-c2ccccc2)n[nH]1.Cc1cc2ccccc2c(Nc2cc3ccccc3c(Br)n2)n1.Cc1cc2ccccc2cn1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)NCCC2.Cc1ccc2ccccc2n1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nonc2c1.Cc1ccc2nsnc2c1.Cc1cccc2cccnc12.Cc1cccc2ncccc12.Cc1cnc2ccccc2c1.Cc1cnc2ccccc2c1.Cc1nc2c(Cl)cccc2s1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nc2ccccc2s1.Cc1ncc(Cl)cn1.Cc1nccc2ccccc12.Cc1nnc(C(F)(F)F)s1.

What is the InChIKey of N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?

The InChIKey is VWODFNLTMNYKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3.C13H18.C10H10N2.2C10H9N.C10H13N.5C10H9N.2C8H6ClNS.C8H6FNS.2C8H8N2.C8H7NS.C7H7N3.C7H6N2O.C7H6N2S.C5H5ClN2.C4H3F3N2S/c1-12-10-13-6-3-5-9-16(13)19(21-12)23-17-11-14-7-2-4-8-15(14)18(20)22-17;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)7-11-8;2*1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-8-6(9)3-2-4-7(8)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-9-7-4-2-3-5-8(7)10-6;3*1-5-2-3-6-7(4-5)9-10-8-6;1-4-7-2-5(6)3-8-4;1-2-8-9-3(10-2)4(5,6)7/h2-11H,1H3,(H,21,22,23);2-6,11,13H,7-10H2,1H3;2-7H,1H3,(H,11,12);2*2-7H,1H3;4-5,7,11H,2-3,6H2,1H3;5*2-7H,1H3;3*2-4H,1H3;2*2-5H,1H3,(H,9,10);2-5H,1H3;2-4H,1H3,(H,8,9,10);2*2-4H,1H3;2-3H,1H3;1H3.

What are the key properties of N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole?

N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 3508.57 g/mol, XLogP of 55.83, 4 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-bromoisoquinolin-3-yl)-3-methylisoquinolin-1-amine;4-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methylpyrimidine;6-fluoro-2-methyl-1,3-benzothiazole;6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;2-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;5-methyl-2,1,3-benzoxadiazole;(4-methylcyclohexyl)benzene;5-methyl-1H-indazole;1-methylisoquinoline;3-methylisoquinoline;5-methyl-3-phenyl-1H-pyrazole;2-methylquinoline;bis(3-methylquinoline);5-methylquinoline;8-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 161419665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).