6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine

C107H109N30O6S6+ — CID 158927092

About 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine

6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine (PubChem CID 158927092) has the molecular formula C107H109N30O6S6+ and a molecular weight of 2103.65 g/mol. Its IUPAC name is 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine.

Molecular Properties

• Compound Name: 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine
• PubChem CID: 158927092
• Molecular Formula: C107H109N30O6S6+
• Molecular Weight: 2103.65 g/mol
• Exact Mass: 2101.75
• IUPAC Name: 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine
• SMILES: CC(C)Oc1ccc(C#N)cc1Nc1nc2c(ccc3c2ncn3C)s1.CC(C)Oc1ccncc1Nc1nc2c(ccc3c2[nH]c[n+]3C)s1.CCOc1ccncc1Nc1nc2c(ccc3c2ncn3C)s1.CCOc1ccncc1Nc1nc2c(ccc3nc(C)n(CC)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cnccc4OC(C)C)nc3c21.Cc1nc2c3nc(Nc4cnccc4OC(C)C)sc3ccc2n1C
• InChI: InChI=1S/C19H17N5OS.C19H21N5OS.2C18H19N5OS.C17H17N5OS.C16H15N5OS/c1-11(2)25-15-6-4-12(9-20)8-13(15)22-19-23-18-16(26-19)7-5-14-17(18)21-10-24(14)3;1-5-24-12(4)21-13-6-7-16-17(18(13)24)23-19(26-16)22-14-10-20-9-8-15(14)25-11(2)3;1-10(2)24-14-7-8-19-9-12(14)21-18-22-17-15(25-18)6-5-13-16(17)20-11(3)23(13)4;1-4-23-11(3)20-12-6-7-15-16(17(12)23)22-18(25-15)21-13-10-19-9-8-14(13)24-5-2;1-10(2)23-13-6-7-18-8-11(13)20-17-21-16-14(24-17)5-4-12-15(16)19-9-22(12)3;1-3-22-12-6-7-17-8-10(12)19-16-20-15-13(23-16)5-4-11-14(15)18-9-21(11)2/h4-8,10-11H,1-3H3,(H,22,23);6-11H,5H2,1-4H3,(H,22,23);5-10H,1-4H3,(H,21,22);6-10H,4-5H2,1-3H3,(H,21,22);4-10H,1-3H3,(H,20,21);4-9H,3H2,1-2H3,(H,19,20)/p+1
• InChIKey: ZDCYALUGRBQKGT-UHFFFAOYSA-O
• XLogP: 25.66
• TPSA: 401.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2103.65
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine?

The IUPAC name of 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine (CID 158927092) is 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine.

What is the SMILES notation for 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine?

The canonical SMILES for 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine is CC(C)Oc1ccc(C#N)cc1Nc1nc2c(ccc3c2ncn3C)s1.CC(C)Oc1ccncc1Nc1nc2c(ccc3c2[nH]c[n+]3C)s1.CCOc1ccncc1Nc1nc2c(ccc3c2ncn3C)s1.CCOc1ccncc1Nc1nc2c(ccc3nc(C)n(CC)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cnccc4OC(C)C)nc3c21.Cc1nc2c3nc(Nc4cnccc4OC(C)C)sc3ccc2n1C.

What is the InChIKey of 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine?

The InChIKey is ZDCYALUGRBQKGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17N5OS.C19H21N5OS.2C18H19N5OS.C17H17N5OS.C16H15N5OS/c1-11(2)25-15-6-4-12(9-20)8-13(15)22-19-23-18-16(26-19)7-5-14-17(18)21-10-24(14)3;1-5-24-12(4)21-13-6-7-16-17(18(13)24)23-19(26-16)22-14-10-20-9-8-15(14)25-11(2)3;1-10(2)24-14-7-8-19-9-12(14)21-18-22-17-15(25-18)6-5-13-16(17)20-11(3)23(13)4;1-4-23-11(3)20-12-6-7-15-16(17(12)23)22-18(25-15)21-13-10-19-9-8-14(13)24-5-2;1-10(2)23-13-6-7-18-8-11(13)20-17-21-16-14(24-17)5-4-12-15(16)19-9-22(12)3;1-3-22-12-6-7-17-8-10(12)19-16-20-15-13(23-16)5-4-11-14(15)18-9-21(11)2/h4-8,10-11H,1-3H3,(H,22,23);6-11H,5H2,1-4H3,(H,22,23);5-10H,1-4H3,(H,21,22);6-10H,4-5H2,1-3H3,(H,21,22);4-10H,1-3H3,(H,20,21);4-9H,3H2,1-2H3,(H,19,20)/p+1.

What are the key properties of 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine?

6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine has a molecular weight of 2103.65 g/mol, XLogP of 25.66, 26 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-ethoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzonitrile;6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)-8H-imidazo[4,5-e][1,3]benzothiazol-6-ium-2-amine is sourced from PubChem (CID 158927092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).