3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide

C126H117F3N32O11S7 — CID 158659251

About 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide

3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide (PubChem CID 158659251) has the molecular formula C126H117F3N32O11S7 and a molecular weight of 2537.00 g/mol. Its IUPAC name is 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide.

Molecular Properties

• Compound Name: 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide
• PubChem CID: 158659251
• Molecular Formula: C126H117F3N32O11S7
• Molecular Weight: 2537.00 g/mol
• Exact Mass: 2534.76
• IUPAC Name: 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide
• SMILES: CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3n[nH]nc32)s1.COc1c(C)cc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1cc(C(C)=O)ccc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(C(F)(F)F)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(NC(C)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccccc1Nc1nc2c(ccc3c2ncn3C)s1.Cc1[nH]c2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)c1C
• InChI: InChI=1S/C21H22N4O2S.C18H18N6OS.2C18H17N5O2S.C18H16N4O2S.C17H13F3N4OS.C16H14N4OS/c1-10(2)27-16-7-5-13(20(22)26)9-15(16)24-21-25-19-17(28-21)8-6-14-11(3)12(4)23-18(14)19;1-9(2)7-10-3-4-11(17(19)25)8-13(10)20-18-21-16-14(26-18)6-5-12-15(16)23-24-22-12;1-10(24)20-11-4-6-14(25-3)12(8-11)21-18-22-17-15(26-18)7-5-13-16(17)19-9-23(13)2;1-9-6-10(17(19)24)7-11(16(9)25-3)21-18-22-15-13(26-18)5-4-12-14(15)20-8-23(12)2;1-10(23)11-4-5-12(14(8-11)24-3)20-18-21-17-15(25-18)7-6-13-16(17)19-9-22(13)2;1-24-8-21-14-11(24)4-6-13-15(14)23-16(26-13)22-10-7-9(17(18,19)20)3-5-12(10)25-2;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/h5-10,23H,1-4H3,(H2,22,26)(H,24,25);3-6,8-9H,7H2,1-2H3,(H2,19,25)(H,20,21)(H,22,23,24);4-9H,1-3H3,(H,20,24)(H,21,22);4-8H,1-3H3,(H2,19,24)(H,21,22);4-9H,1-3H3,(H,20,21);3-8H,1-2H3,(H,22,23);3-9H,1-2H3,(H,18,19)
• InChIKey: ICNUOGQMXUXRKA-UHFFFAOYSA-N
• XLogP: 28.90
• TPSA: 551.72 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 44
• Rotatable Bonds: 28
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2537.00
LogP ≤ 5	28.90
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide?

The IUPAC name of 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide (CID 158659251) is 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide.

What is the SMILES notation for 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide?

The canonical SMILES for 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide is CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3n[nH]nc32)s1.COc1c(C)cc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1cc(C(C)=O)ccc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(C(F)(F)F)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(NC(C)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccccc1Nc1nc2c(ccc3c2ncn3C)s1.Cc1[nH]c2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)c1C.

What is the InChIKey of 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide?

The InChIKey is ICNUOGQMXUXRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S.C18H18N6OS.2C18H17N5O2S.C18H16N4O2S.C17H13F3N4OS.C16H14N4OS/c1-10(2)27-16-7-5-13(20(22)26)9-15(16)24-21-25-19-17(28-21)8-6-14-11(3)12(4)23-18(14)19;1-9(2)7-10-3-4-11(17(19)25)8-13(10)20-18-21-16-14(26-18)6-5-12-15(16)23-24-22-12;1-10(24)20-11-4-6-14(25-3)12(8-11)21-18-22-17-15(26-18)7-5-13-16(17)19-9-23(13)2;1-9-6-10(17(19)24)7-11(16(9)25-3)21-18-22-15-13(26-18)5-4-12-14(15)20-8-23(12)2;1-10(23)11-4-5-12(14(8-11)24-3)20-18-21-17-15(25-18)7-6-13-16(17)19-9-22(13)2;1-24-8-21-14-11(24)4-6-13-15(14)23-16(26-13)22-10-7-9(17(18,19)20)3-5-12(10)25-2;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/h5-10,23H,1-4H3,(H2,22,26)(H,24,25);3-6,8-9H,7H2,1-2H3,(H2,19,25)(H,20,21)(H,22,23,24);4-9H,1-3H3,(H,20,24)(H,21,22);4-8H,1-3H3,(H2,19,24)(H,21,22);4-9H,1-3H3,(H,20,21);3-8H,1-2H3,(H,22,23);3-9H,1-2H3,(H,18,19).

What are the key properties of 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide?

3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide has a molecular weight of 2537.00 g/mol, XLogP of 28.90, 28 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;N-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]acetamide;1-[3-methoxy-4-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]ethanone;4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-(2H-[1,3]thiazolo[4,5-e]benzotriazol-7-ylamino)benzamide is sourced from PubChem (CID 158659251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).