3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine

C120H101F4N27O15S10 — CID 157458842

About 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine

3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine (PubChem CID 157458842) has the molecular formula C120H101F4N27O15S10 and a molecular weight of 2557.96 g/mol. Its IUPAC name is 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine.

Molecular Properties

• Compound Name: 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine
• PubChem CID: 157458842
• Molecular Formula: C120H101F4N27O15S10
• Molecular Weight: 2557.96 g/mol
• Exact Mass: 2555.51
• IUPAC Name: 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine
• SMILES: COc1ccc(C(N)=O)cc1NC1=NC2c3ccncc3C=CC2S1.COc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3cnccc32)s1.COc1ccccc1Nc1nc2c(ccc3c2ncn3C)s1.CS(=O)(=O)c1ccc(OC(F)(F)F)c(Nc2nc3c(ccc4cnccc43)s2)c1
• InChI: InChI=1S/C18H12F3N3O3S2.C18H16N4O2S.C18H15N3O3S2.C17H15N5O2S.C17H16N4O3S2.C16H13FN4OS.C16H14N4OS/c1-29(25,26)11-3-4-14(27-18(19,20)21)13(8-11)23-17-24-16-12-6-7-22-9-10(12)2-5-15(16)28-17;1-24-14-4-2-10(17(19)23)8-13(14)21-18-22-16-12-6-7-20-9-11(12)3-5-15(16)25-18;1-24-15-5-4-12(26(2,22)23)9-14(15)20-18-21-17-13-7-8-19-10-11(13)3-6-16(17)25-18;1-22-8-19-14-11(22)4-6-13-15(14)21-17(25-13)20-10-7-9(16(18)23)3-5-12(10)24-2;1-21-9-18-15-12(21)5-7-14-16(15)20-17(25-14)19-11-8-10(26(3,22)23)4-6-13(11)24-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;1-20-9-17-14-11(20)7-8-13-15(14)19-16(22-13)18-10-5-3-4-6-12(10)21-2/h2-9H,1H3,(H,23,24);2-9,15-16H,1H3,(H2,19,23)(H,21,22);3-10H,1-2H3,(H,20,21);3-8H,1-2H3,(H2,18,23)(H,20,21);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)
• InChIKey: BTRKJXUTBNFQDA-UHFFFAOYSA-N
• XLogP: 26.11
• TPSA: 537.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2557.96
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine?

The IUPAC name of 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine (CID 157458842) is 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine.

What is the SMILES notation for 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine?

The canonical SMILES for 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine is COc1ccc(C(N)=O)cc1NC1=NC2c3ccncc3C=CC2S1.COc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3cnccc32)s1.COc1ccccc1Nc1nc2c(ccc3c2ncn3C)s1.CS(=O)(=O)c1ccc(OC(F)(F)F)c(Nc2nc3c(ccc4cnccc43)s2)c1.

What is the InChIKey of 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine?

The InChIKey is BTRKJXUTBNFQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3S2.C18H16N4O2S.C18H15N3O3S2.C17H15N5O2S.C17H16N4O3S2.C16H13FN4OS.C16H14N4OS/c1-29(25,26)11-3-4-14(27-18(19,20)21)13(8-11)23-17-24-16-12-6-7-22-9-10(12)2-5-15(16)28-17;1-24-14-4-2-10(17(19)23)8-13(14)21-18-22-16-12-6-7-20-9-11(12)3-5-15(16)25-18;1-24-15-5-4-12(26(2,22)23)9-14(15)20-18-21-17-13-7-8-19-10-11(13)3-6-16(17)25-18;1-22-8-19-14-11(22)4-6-13-15(14)21-17(25-13)20-10-7-9(16(18)23)3-5-12(10)24-2;1-21-9-18-15-12(21)5-7-14-16(15)20-17(25-14)19-11-8-10(26(3,22)23)4-6-13(11)24-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;1-20-9-17-14-11(20)7-8-13-15(14)19-16(22-13)18-10-5-3-4-6-12(10)21-2/h2-9H,1H3,(H,23,24);2-9,15-16H,1H3,(H2,19,23)(H,21,22);3-10H,1-2H3,(H,20,21);3-8H,1-2H3,(H2,18,23)(H,20,21);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19).

What are the key properties of 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine?

3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine has a molecular weight of 2557.96 g/mol, XLogP of 26.11, 25 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3a,9b-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)-4-methoxybenzamide;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-[1,3]thiazolo[4,5-f]isoquinolin-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-methylsulfonyl-2-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-f]isoquinolin-2-amine is sourced from PubChem (CID 157458842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).