1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine

C110H117N25O4S3 — CID 159472696

IUPAC1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine
SMILESC/C(=N\Cc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2o1)c1cccc(CO)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)C)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)Cc2ccccn2)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN)n1.CNCCn1c(C/N=C(\C)c2ccccn2)nc2ccccc21
InChIInChI=1S/C23H23N5S.C19H22N4O2.C18H21N5.C18H20N4S.C16H16N4S.C16H15N3O2/c1-17(25-14-23-27-21-10-3-4-12-22(21)29-23)20-11-7-9-19(26-20)16-28(2)15-18-8-5-6-13-24-18;1-14(17-12-15(8-9-20-17)24-11-10-23(2)3)21-13-19-22-16-6-4-5-7-18(16)25-19;1-14(15-7-5-6-10-20-15)21-13-18-22-16-8-3-4-9-17(16)23(18)12-11-19-2;1-13(15-9-6-7-14(20-15)12-22(2)3)19-11-18-21-16-8-4-5-10-17(16)23-18;1-11(13-7-4-5-12(9-17)19-13)18-10-16-20-14-6-2-3-8-15(14)21-16;1-11(13-7-4-5-12(10-20)18-13)17-9-16-19-14-6-2-3-8-15(14)21-16/h3-13H,14-16H2,1-2H3;4-9,12H,10-11,13H2,1-3H3;3-10,19H,11-13H2,1-2H3;4-10H,11-12H2,1-3H3;2-8H,9-10,17H2,1H3;2-8,20H,9-10H2,1H3/b25-17+;2*21-14+;19-13+;18-11+;17-11+
InChIKeyLVZQEPJDALFJMU-SNFOHZHCSA-N
MW1949.52 g/mol
LogP20.21
Rot. Bonds33

About 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine

1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine (PubChem CID 159472696) has the molecular formula C110H117N25O4S3 and a molecular weight of 1949.52 g/mol. Its IUPAC name is 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine
PubChem CID159472696
Molecular FormulaC110H117N25O4S3
Molecular Weight1949.52 g/mol
Exact Mass1947.89
IUPAC Name1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine
SMILESC/C(=N\Cc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2o1)c1cccc(CO)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)C)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)Cc2ccccn2)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN)n1.CNCCn1c(C/N=C(\C)c2ccccn2)nc2ccccc21
InChIInChI=1S/C23H23N5S.C19H22N4O2.C18H21N5.C18H20N4S.C16H16N4S.C16H15N3O2/c1-17(25-14-23-27-21-10-3-4-12-22(21)29-23)20-11-7-9-19(26-20)16-28(2)15-18-8-5-6-13-24-18;1-14(17-12-15(8-9-20-17)24-11-10-23(2)3)21-13-19-22-16-6-4-5-7-18(16)25-19;1-14(15-7-5-6-10-20-15)21-13-18-22-16-8-3-4-9-17(16)23(18)12-11-19-2;1-13(15-9-6-7-14(20-15)12-22(2)3)19-11-18-21-16-8-4-5-10-17(16)23-18;1-11(13-7-4-5-12(9-17)19-13)18-10-16-20-14-6-2-3-8-15(14)21-16;1-11(13-7-4-5-12(10-20)18-13)17-9-16-19-14-6-2-3-8-15(14)21-16/h3-13H,14-16H2,1-2H3;4-9,12H,10-11,13H2,1-3H3;3-10,19H,11-13H2,1-2H3;4-10H,11-12H2,1-3H3;2-8H,9-10,17H2,1H3;2-8,20H,9-10H2,1H3/b25-17+;2*21-14+;19-13+;18-11+;17-11+
InChIKeyLVZQEPJDALFJMU-SNFOHZHCSA-N
XLogP20.21
TPSA350.17 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001949.52
LogP ≤ 520.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
Heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
CID 160721412
2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
CID 123165806
N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine
CID 157054867
2-[2-(1H-benzimidazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[2-(1,3-benzothiazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzothiazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzoxazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3H-indol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3H-pyrrol-2-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 157074433
Bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
CID 157088291
2-[4-[21-(1,3-Benzothiazol-2-yl)-10,10-dimethyl-14-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-1,3-benzoxazole;2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-5-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)-1-phenylbenzimidazole;2-[10,10-dimethyl-14-(6-pyridin-2-yl-3-pyridinyl)-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]-1,3-benzothiazole;2-[4-[10,10-dimethyl-14-(6-pyridin-2-yl-3-pyridinyl)-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl]phenyl]-1,3-benzothiazole
CID 157108960
2-(3-Anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole
CID 157157283
3,9-dimethylcarbazole;3,5-dimethyl-2H-1,3-oxazole;1-methoxy-4-methylbenzene;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;4-methyl-2H-imidazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methylisoindole;1-methylnaphthalene;2-methylpyrimidine;5-methylpyrimidine;6-methylpyrrolo[3,4-b]pyrazine;bis(6-methylpyrrolo[3,4-b]pyridine);2-methylpyrrolo[3,4-c]pyridine;2-methylquinazoline;2-methylquinoxaline;2-methyl-4,5,6,7-tetrahydroisoindole;N,N,4-trimethylaniline
CID 157161544
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157179671

Frequently Asked Questions

What is the IUPAC name of 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine?
The IUPAC name of 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine (CID 159472696) is 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine.
What is the SMILES notation for 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine?
The canonical SMILES for 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine is C/C(=N\Cc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1.C/C(=N\Cc1nc2ccccc2o1)c1cccc(CO)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)C)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN(C)Cc2ccccn2)n1.C/C(=N\Cc1nc2ccccc2s1)c1cccc(CN)n1.CNCCn1c(C/N=C(\C)c2ccccn2)nc2ccccc21.
What is the InChIKey of 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine?
The InChIKey is LVZQEPJDALFJMU-SNFOHZHCSA-N. The full InChI is InChI=1S/C23H23N5S.C19H22N4O2.C18H21N5.C18H20N4S.C16H16N4S.C16H15N3O2/c1-17(25-14-23-27-21-10-3-4-12-22(21)29-23)20-11-7-9-19(26-20)16-28(2)15-18-8-5-6-13-24-18;1-14(17-12-15(8-9-20-17)24-11-10-23(2)3)21-13-19-22-16-6-4-5-7-18(16)25-19;1-14(15-7-5-6-10-20-15)21-13-18-22-16-8-3-4-9-17(16)23(18)12-11-19-2;1-13(15-9-6-7-14(20-15)12-22(2)3)19-11-18-21-16-8-4-5-10-17(16)23-18;1-11(13-7-4-5-12(9-17)19-13)18-10-16-20-14-6-2-3-8-15(14)21-16;1-11(13-7-4-5-12(10-20)18-13)17-9-16-19-14-6-2-3-8-15(14)21-16/h3-13H,14-16H2,1-2H3;4-9,12H,10-11,13H2,1-3H3;3-10,19H,11-13H2,1-2H3;4-10H,11-12H2,1-3H3;2-8H,9-10,17H2,1H3;2-8,20H,9-10H2,1H3/b25-17+;2*21-14+;19-13+;18-11+;17-11+.
What are the key properties of 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine?
1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine has a molecular weight of 1949.52 g/mol, XLogP of 20.21, 33 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N,N-dimethylmethanamine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 159472696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).