N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide

C94H91F9N22O14S10 — CID 158901616

About N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide

N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 158901616) has the molecular formula C94H91F9N22O14S10 and a molecular weight of 2244.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
• PubChem CID: 158901616
• Molecular Formula: C94H91F9N22O14S10
• Molecular Weight: 2244.55 g/mol
• Exact Mass: 2242.41
• IUPAC Name: N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
• SMILES: CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(C)c32)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(CC(F)(F)F)c32)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.Cc1nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c2n1CC(F)(F)F
• InChI: InChI=1S/C20H20F3N5O3S2.C20H20F3N5O2S2.C19H17F3N4O3S2.C18H18N4O3S2.C17H16N4O3S2/c1-10(2)31-15-6-4-12(33(24,29)30)8-14(15)26-19-27-17-16(32-19)7-5-13-18(17)28(11(3)25-13)9-20(21,22)23;1-11(2)7-12-3-4-13(32(24,29)30)8-15(12)26-19-27-17-16(31-19)6-5-14-18(17)28(10-25-14)9-20(21,22)23;1-10-23-12-5-7-15-16(17(12)26(10)9-19(20,21)22)25-18(30-15)24-13-8-11(31(3,27)28)4-6-14(13)29-2;1-10-19-12-6-8-15-16(17(12)22(10)2)21-18(26-15)20-13-9-11(27(4,23)24)5-7-14(13)25-3;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/h4-8,10H,9H2,1-3H3,(H,26,27)(H2,24,29,30);3-6,8,10-11H,7,9H2,1-2H3,(H,26,27)(H2,24,29,30);4-8H,9H2,1-3H3,(H,24,25);5-9H,1-4H3,(H,20,21);4-9H,1-3H3,(H,19,20)
• InChIKey: JFNDMXKDIZURKU-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 473.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.55
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The IUPAC name of N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide (CID 158901616) is N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide.

What is the SMILES notation for N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The canonical SMILES for N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide is CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(C)c32)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(CC(F)(F)F)c32)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.Cc1nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c2n1CC(F)(F)F.

What is the InChIKey of N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The InChIKey is JFNDMXKDIZURKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3S2.C20H20F3N5O2S2.C19H17F3N4O3S2.C18H18N4O3S2.C17H16N4O3S2/c1-10(2)31-15-6-4-12(33(24,29)30)8-14(15)26-19-27-17-16(32-19)7-5-13-18(17)28(11(3)25-13)9-20(21,22)23;1-11(2)7-12-3-4-13(32(24,29)30)8-15(12)26-19-27-17-16(31-19)6-5-14-18(17)28(10-25-14)9-20(21,22)23;1-10-23-12-5-7-15-16(17(12)26(10)9-19(20,21)22)25-18(30-15)24-13-8-11(31(3,27)28)4-6-14(13)29-2;1-10-19-12-6-8-15-16(17(12)22(10)2)21-18(26-15)20-13-9-11(27(4,23)24)5-7-14(13)25-3;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/h4-8,10H,9H2,1-3H3,(H,26,27)(H2,24,29,30);3-6,8,10-11H,7,9H2,1-2H3,(H,26,27)(H2,24,29,30);4-8H,9H2,1-3H3,(H,24,25);5-9H,1-4H3,(H,20,21);4-9H,1-3H3,(H,19,20).

What are the key properties of N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2244.55 g/mol, XLogP of 21.15, 25 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 158901616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).