N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

C₁₂₃H₁₁₃ClF₃N₂₉O₁₀S₇ — CID 158006917

About N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 158006917) has the molecular formula C₁₂₃H₁₁₃ClF₃N₂₉O₁₀S₇ and a molecular weight of 2474.37 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
• PubChem CID: 158006917
• Molecular Formula: C₁₂₃H₁₁₃ClF₃N₂₉O₁₀S₇
• Molecular Weight: 2474.37 g/mol
• Exact Mass: 2471.69
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
• SMILES: COc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(N)=O)c(F)c1C.COc1ccc(C)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(Cl)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(OC)c(Nc2nc3c(ccc4c3ncn4C)s2)c1.COc1ccccc1Nc1nc2c(ccc3c2ncn3C)s1.Cc1[nH]c2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)c1C.Cn1cnc2c3nc(Nc4ccccc4OCC(C)(F)F)sc3ccc21
• InChI: InChI=1S/C21H22N4O2S.C18H16F2N4OS.C18H16FN5O2S.C17H16N4O2S.C17H16N4OS.C16H13ClN4OS.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;1-18(19,20)9-25-13-6-4-3-5-11(13)22-17-23-16-14(26-17)8-7-12-15(16)21-10-24(12)2;1-8-13(19)9(17(20)25)6-10(16(8)26-3)22-18-23-15-12(27-18)5-4-11-14(15)21-7-24(11)2;1-21-9-18-15-12(21)5-7-14-16(15)20-17(24-14)19-11-8-10(22-2)4-6-13(11)23-3;1-10-4-6-13(22-3)11(8-10)19-17-20-16-14(23-17)7-5-12-15(16)18-9-21(12)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/h5-10,23H,1-4H3,(H2,22,26)(H,24,25);3-8,10H,9H2,1-2H3,(H,22,23);4-7H,1-3H3,(H2,20,25)(H,22,23);4-9H,1-3H3,(H,19,20);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)
• InChIKey: FEKCEJCFDQEZNA-UHFFFAOYSA-N
• XLogP: 30.18
• TPSA: 457.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 27
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2474.37
LogP ≤ 5	30.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (CID 158006917) is N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is COc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(N)=O)c(F)c1C.COc1ccc(C)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(Cl)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(OC)c(Nc2nc3c(ccc4c3ncn4C)s2)c1.COc1ccccc1Nc1nc2c(ccc3c2ncn3C)s1.Cc1[nH]c2c(ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc32)c1C.Cn1cnc2c3nc(Nc4ccccc4OCC(C)(F)F)sc3ccc21.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?

The InChIKey is FEKCEJCFDQEZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S.C18H16F2N4OS.C18H16FN5O2S.C17H16N4O2S.C17H16N4OS.C16H13ClN4OS.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;1-18(19,20)9-25-13-6-4-3-5-11(13)22-17-23-16-14(26-17)8-7-12-15(16)21-10-24(12)2;1-8-13(19)9(17(20)25)6-10(16(8)26-3)22-18-23-15-12(27-18)5-4-11-14(15)21-7-24(11)2;1-21-9-18-15-12(21)5-7-14-16(15)20-17(24-14)19-11-8-10(22-2)4-6-13(11)23-3;1-10-4-6-13(22-3)11(8-10)19-17-20-16-14(23-17)7-5-12-15(16)18-9-21(12)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/h5-10,23H,1-4H3,(H2,22,26)(H,24,25);3-8,10H,9H2,1-2H3,(H,22,23);4-7H,1-3H3,(H2,20,25)(H,22,23);4-9H,1-3H3,(H,19,20);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 N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?

N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 2474.37 g/mol, XLogP of 30.18, 27 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2,2-difluoropropoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2,5-dimethoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6,7-dimethyl-8H-pyrrolo[2,3-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzamide;2-fluoro-4-methoxy-3-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 158006917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158006917 — identifiers, structure, computed properties (public domain)

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