8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide

C88H89N23O12S9 — CID 159966056

About 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide

8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 159966056) has the molecular formula C88H89N23O12S9 and a molecular weight of 1949.43 g/mol. Its IUPAC name is 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide
• PubChem CID: 159966056
• Molecular Formula: C88H89N23O12S9
• Molecular Weight: 1949.43 g/mol
• Exact Mass: 1947.45
• IUPAC Name: 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide
• SMILES: CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC)nc3c21.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC)nc3c21.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.COc1ccccc1Nc1nc2c(ccc3ncn(C)c32)s1
• InChI: InChI=1S/C19H21N5O2S2.C19H20N4O3S2.C18H19N5O3S2.C16H15N5O3S2.C16H14N4OS/c1-11(2)8-12-4-5-13(28(20,25)26)9-15(12)22-19-23-17-16(27-19)7-6-14-18(17)24(3)10-21-14;1-5-23-11(2)20-13-7-9-16-17(18(13)23)22-19(27-16)21-14-10-12(28(4,24)25)6-8-15(14)26-3;1-4-23-10(2)20-12-6-8-15-16(17(12)23)22-18(27-15)21-13-9-11(28(19,24)25)5-7-14(13)26-3;1-21-8-18-10-4-6-13-14(15(10)21)20-16(25-13)19-11-7-9(26(17,22)23)3-5-12(11)24-2;1-20-9-17-11-7-8-13-14(15(11)20)19-16(22-13)18-10-5-3-4-6-12(10)21-2/h4-7,9-11H,8H2,1-3H3,(H,22,23)(H2,20,25,26);6-10H,5H2,1-4H3,(H,21,22);5-9H,4H2,1-3H3,(H,21,22)(H2,19,24,25);3-8H,1-2H3,(H,19,20)(H2,17,22,23);3-9H,1-2H3,(H,18,19)
• InChIKey: ODYGCDYUMPLKKG-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 465.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1949.43
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide?

The IUPAC name of 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide (CID 159966056) is 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide.

What is the SMILES notation for 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide?

The canonical SMILES for 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(S(C)(=O)=O)ccc4OC)nc3c21.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC)nc3c21.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3ncn(C)c32)s1.COc1ccccc1Nc1nc2c(ccc3ncn(C)c32)s1.

What is the InChIKey of 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide?

The InChIKey is ODYGCDYUMPLKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2.C19H20N4O3S2.C18H19N5O3S2.C16H15N5O3S2.C16H14N4OS/c1-11(2)8-12-4-5-13(28(20,25)26)9-15(12)22-19-23-17-16(27-19)7-6-14-18(17)24(3)10-21-14;1-5-23-11(2)20-13-7-9-16-17(18(13)23)22-19(27-16)21-14-10-12(28(4,24)25)6-8-15(14)26-3;1-4-23-10(2)20-12-6-8-15-16(17(12)23)22-18(27-15)21-13-9-11(28(19,24)25)5-7-14(13)26-3;1-21-8-18-10-4-6-13-14(15(10)21)20-16(25-13)19-11-7-9(26(17,22)23)3-5-12(11)24-2;1-20-9-17-11-7-8-13-14(15(11)20)19-16(22-13)18-10-5-3-4-6-12(10)21-2/h4-7,9-11H,8H2,1-3H3,(H,22,23)(H2,20,25,26);6-10H,5H2,1-4H3,(H,21,22);5-9H,4H2,1-3H3,(H,21,22)(H2,19,24,25);3-8H,1-2H3,(H,19,20)(H2,17,22,23);3-9H,1-2H3,(H,18,19).

What are the key properties of 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide?

8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 1949.43 g/mol, XLogP of 17.79, 22 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-N-(2-methoxy-5-methylsulfonylphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 159966056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).