6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide

C109H107N25O17S12 — CID 161226269

About 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide

6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide (PubChem CID 161226269) has the molecular formula C109H107N25O17S12 and a molecular weight of 2424.02 g/mol. Its IUPAC name is 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide.

Molecular Properties

• Compound Name: 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide
• PubChem CID: 161226269
• Molecular Formula: C109H107N25O17S12
• Molecular Weight: 2424.02 g/mol
• Exact Mass: 2421.49
• IUPAC Name: 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide
• SMILES: CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3cnccc32)s1.CCn1cc2c(ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC)nc32)n1.CCn1ncc2c3nc(Nc4cc(S(C)(=O)=O)ccc4OC)sc3ccc21.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2cnn3CC(C)C)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3c2cnn3C)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3cnccc32)s1
• InChI: InChI=1S/C20H22N4O3S2.C20H20N4O2S2.2C18H18N4O3S2.C17H14N4O3S2.C16H15N5O3S2/c1-12(2)11-24-16-6-8-18-19(14(16)10-21-24)23-20(28-18)22-15-9-13(29(4,25)26)5-7-17(15)27-3;1-12(2)9-13-3-5-15(28(21,25)26)10-17(13)23-20-24-19-16-7-8-22-11-14(16)4-6-18(19)27-20;1-4-22-14-6-8-16-17(12(14)10-19-22)21-18(26-16)20-13-9-11(27(3,23)24)5-7-15(13)25-2;1-4-22-10-12-13(21-22)6-8-16-17(12)20-18(26-16)19-14-9-11(27(3,23)24)5-7-15(14)25-2;1-24-14-4-3-11(26(18,22)23)8-13(14)20-17-21-16-12-6-7-19-9-10(12)2-5-15(16)25-17;1-21-12-4-6-14-15(10(12)8-18-21)20-16(25-14)19-11-7-9(26(17,22)23)3-5-13(11)24-2/h5-10,12H,11H2,1-4H3,(H,22,23);3-8,10-12H,9H2,1-2H3,(H,23,24)(H2,21,25,26);5-10H,4H2,1-3H3,(H,20,21);5-10H,4H2,1-3H3,(H,19,20);2-9H,1H3,(H,20,21)(H2,18,22,23);3-8H,1-2H3,(H,19,20)(H2,17,22,23)
• InChIKey: UYDYJQKWZOTVKC-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 575.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 29
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2424.02
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide?

The IUPAC name of 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide (CID 161226269) is 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide.

What is the SMILES notation for 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide?

The canonical SMILES for 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide is CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3cnccc32)s1.CCn1cc2c(ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC)nc32)n1.CCn1ncc2c3nc(Nc4cc(S(C)(=O)=O)ccc4OC)sc3ccc21.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2cnn3CC(C)C)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3c2cnn3C)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3cnccc32)s1.

What is the InChIKey of 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide?

The InChIKey is UYDYJQKWZOTVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2.C20H20N4O2S2.2C18H18N4O3S2.C17H14N4O3S2.C16H15N5O3S2/c1-12(2)11-24-16-6-8-18-19(14(16)10-21-24)23-20(28-18)22-15-9-13(29(4,25)26)5-7-17(15)27-3;1-12(2)9-13-3-5-15(28(21,25)26)10-17(13)23-20-24-19-16-7-8-22-11-14(16)4-6-18(19)27-20;1-4-22-14-6-8-16-17(12(14)10-19-22)21-18(26-16)20-13-9-11(27(3,23)24)5-7-15(13)25-2;1-4-22-10-12-13(21-22)6-8-16-17(12)20-18(26-16)19-14-9-11(27(3,23)24)5-7-15(14)25-2;1-24-14-4-3-11(26(18,22)23)8-13(14)20-17-21-16-12-6-7-19-9-10(12)2-5-15(16)25-17;1-21-12-4-6-14-15(10(12)8-18-21)20-16(25-14)19-11-7-9(26(17,22)23)3-5-13(11)24-2/h5-10,12H,11H2,1-4H3,(H,22,23);3-8,10-12H,9H2,1-2H3,(H,23,24)(H2,21,25,26);5-10H,4H2,1-3H3,(H,20,21);5-10H,4H2,1-3H3,(H,19,20);2-9H,1H3,(H,20,21)(H2,18,22,23);3-8H,1-2H3,(H,19,20)(H2,17,22,23).

What are the key properties of 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide?

6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide has a molecular weight of 2424.02 g/mol, XLogP of 22.36, 29 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;7-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)pyrazolo[4,3-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 161226269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).