8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile

C116H99F6N33O9S8 — CID 161250879

About 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile

8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile (PubChem CID 161250879) has the molecular formula C116H99F6N33O9S8 and a molecular weight of 2469.81 g/mol. Its IUPAC name is 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile.

Molecular Properties

• Compound Name: 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile
• PubChem CID: 161250879
• Molecular Formula: C116H99F6N33O9S8
• Molecular Weight: 2469.81 g/mol
• Exact Mass: 2467.60
• IUPAC Name: 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile
• SMILES: CCn1c(C)nc2ccc3sc(Nc4cnccc4OC)nc3c21.COc1ccc(C#N)cc1Nc1nc2c(ccc3cnccc32)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.COc1ccncc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccncc1Nc1nc2c(ccc3nc(C)n(C)c32)s1.COc1ccncc1Nc1nc2c(ccc3nc(C)n(CC(F)(F)F)c32)s1.COc1ccncc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1
• InChI: InChI=1S/C18H12N4OS.C17H14F3N5OS.C17H17N5OS.C17H16N4O3S2.C16H12F3N5OS.C16H15N5OS.C15H13N5OS/c1-23-15-4-2-11(9-19)8-14(15)21-18-22-17-13-6-7-20-10-12(13)3-5-16(17)24-18;1-9-22-10-3-4-13-14(15(10)25(9)8-17(18,19)20)24-16(27-13)23-11-7-21-6-5-12(11)26-2;1-4-22-10(2)19-11-5-6-14-15(16(11)22)21-17(24-14)20-12-9-18-8-7-13(12)23-3;1-21-9-18-11-5-7-14-15(16(11)21)20-17(25-14)19-12-8-10(26(3,22)23)4-6-13(12)24-2;1-25-11-4-5-20-6-10(11)22-15-23-13-12(26-15)3-2-9-14(13)24(8-21-9)7-16(17,18)19;1-9-18-10-4-5-13-14(15(10)21(9)2)20-16(23-13)19-11-8-17-7-6-12(11)22-3;1-20-8-17-13-10(20)3-4-12-14(13)19-15(22-12)18-9-7-16-6-5-11(9)21-2/h2-8,10H,1H3,(H,21,22);3-7H,8H2,1-2H3,(H,23,24);5-9H,4H2,1-3H3,(H,20,21);4-9H,1-3H3,(H,19,20);2-6,8H,7H2,1H3,(H,22,23);4-8H,1-3H3,(H,19,20);3-8H,1-2H3,(H,18,19)
• InChIKey: VBGFIMFFLHHROF-UHFFFAOYSA-N
• XLogP: 27.92
• TPSA: 481.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 25
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2469.81
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile?

The IUPAC name of 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile (CID 161250879) is 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile.

What is the SMILES notation for 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile?

The canonical SMILES for 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile is CCn1c(C)nc2ccc3sc(Nc4cnccc4OC)nc3c21.COc1ccc(C#N)cc1Nc1nc2c(ccc3cnccc32)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.COc1ccncc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccncc1Nc1nc2c(ccc3nc(C)n(C)c32)s1.COc1ccncc1Nc1nc2c(ccc3nc(C)n(CC(F)(F)F)c32)s1.COc1ccncc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1.

What is the InChIKey of 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile?

The InChIKey is VBGFIMFFLHHROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS.C17H14F3N5OS.C17H17N5OS.C17H16N4O3S2.C16H12F3N5OS.C16H15N5OS.C15H13N5OS/c1-23-15-4-2-11(9-19)8-14(15)21-18-22-17-13-6-7-20-10-12(13)3-5-16(17)24-18;1-9-22-10-3-4-13-14(15(10)25(9)8-17(18,19)20)24-16(27-13)23-11-7-21-6-5-12(11)26-2;1-4-22-10(2)19-11-5-6-14-15(16(11)22)21-17(24-14)20-12-9-18-8-7-13(12)23-3;1-21-9-18-11-5-7-14-15(16(11)21)20-17(25-14)19-12-8-10(26(3,22)23)4-6-13(12)24-2;1-25-11-4-5-20-6-10(11)22-15-23-13-12(26-15)3-2-9-14(13)24(8-21-9)7-16(17,18)19;1-9-18-10-4-5-13-14(15(10)21(9)2)20-16(23-13)19-11-8-17-7-6-12(11)22-3;1-20-8-17-13-10(20)3-4-12-14(13)19-15(22-12)18-9-7-16-6-5-11(9)21-2/h2-8,10H,1H3,(H,21,22);3-7H,8H2,1-2H3,(H,23,24);5-9H,4H2,1-3H3,(H,20,21);4-9H,1-3H3,(H,19,20);2-6,8H,7H2,1H3,(H,22,23);4-8H,1-3H3,(H,19,20);3-8H,1-2H3,(H,18,19).

What are the key properties of 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile?

8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile has a molecular weight of 2469.81 g/mol, XLogP of 27.92, 25 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-N-(4-methoxy-3-pyridinyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzonitrile is sourced from PubChem (CID 161250879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).