2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid

C75H80F3N21O14S4 — CID 165052237

About 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid

2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid (PubChem CID 165052237) has the molecular formula C75H80F3N21O14S4 and a molecular weight of 1684.86 g/mol. Its IUPAC name is 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid
• PubChem CID: 165052237
• Molecular Formula: C75H80F3N21O14S4
• Molecular Weight: 1684.86 g/mol
• Exact Mass: 1683.50
• IUPAC Name: 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid
• SMILES: CC(=O)N1CCc2nc(Nc3nc4cc(C(=O)NCCOCCO)ccc4n3C)sc2C1.CC(=O)N1CCc2nc(Nc3nc4cc(C(=O)O)ccc4n3C)sc2C1.Cn1c(Nc2nc3c(s2)CN(C(=O)C(F)(F)F)CC3)nc2cc(C(=O)O)ccc21.Cn1c(Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)nc2cc(C(=O)O)ccc21
• InChI: InChI=1S/C21H26N6O4S.C20H23N5O4S.C17H14F3N5O3S.C17H17N5O3S/c1-13(29)27-7-5-15-18(12-27)32-21(24-15)25-20-23-16-11-14(3-4-17(16)26(20)2)19(30)22-6-9-31-10-8-28;1-20(2,3)29-19(28)25-8-7-12-15(10-25)30-18(22-12)23-17-21-13-9-11(16(26)27)5-6-14(13)24(17)4;1-24-11-3-2-8(13(26)27)6-10(11)21-15(24)23-16-22-9-4-5-25(7-12(9)29-16)14(28)17(18,19)20;1-9(23)22-6-5-11-14(8-22)26-17(19-11)20-16-18-12-7-10(15(24)25)3-4-13(12)21(16)2/h3-4,11,28H,5-10,12H2,1-2H3,(H,22,30)(H,23,24,25);5-6,9H,7-8,10H2,1-4H3,(H,26,27)(H,21,22,23);2-3,6H,4-5,7H2,1H3,(H,26,27)(H,21,22,23);3-4,7H,5-6,8H2,1-2H3,(H,24,25)(H,18,19,20)
• InChIKey: PVQCSPUHOJTZLK-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 431.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1684.86
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid?

The IUPAC name of 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid (CID 165052237) is 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid.

What is the SMILES notation for 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid?

The canonical SMILES for 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid is CC(=O)N1CCc2nc(Nc3nc4cc(C(=O)NCCOCCO)ccc4n3C)sc2C1.CC(=O)N1CCc2nc(Nc3nc4cc(C(=O)O)ccc4n3C)sc2C1.Cn1c(Nc2nc3c(s2)CN(C(=O)C(F)(F)F)CC3)nc2cc(C(=O)O)ccc21.Cn1c(Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)nc2cc(C(=O)O)ccc21.

What is the InChIKey of 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid?

The InChIKey is PVQCSPUHOJTZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4S.C20H23N5O4S.C17H14F3N5O3S.C17H17N5O3S/c1-13(29)27-7-5-15-18(12-27)32-21(24-15)25-20-23-16-11-14(3-4-17(16)26(20)2)19(30)22-6-9-31-10-8-28;1-20(2,3)29-19(28)25-8-7-12-15(10-25)30-18(22-12)23-17-21-13-9-11(16(26)27)5-6-14(13)24(17)4;1-24-11-3-2-8(13(26)27)6-10(11)21-15(24)23-16-22-9-4-5-25(7-12(9)29-16)14(28)17(18,19)20;1-9(23)22-6-5-11-14(8-22)26-17(19-11)20-16-18-12-7-10(15(24)25)3-4-13(12)21(16)2/h3-4,11,28H,5-10,12H2,1-2H3,(H,22,30)(H,23,24,25);5-6,9H,7-8,10H2,1-4H3,(H,26,27)(H,21,22,23);2-3,6H,4-5,7H2,1H3,(H,26,27)(H,21,22,23);3-4,7H,5-6,8H2,1-2H3,(H,24,25)(H,18,19,20).

What are the key properties of 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid?

2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid has a molecular weight of 1684.86 g/mol, XLogP of 10.48, 17 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;1-methyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid;1-methyl-2-[[5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 165052237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).