1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C131H146N14O11S7 — CID 159438026

About 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 159438026) has the molecular formula C131H146N14O11S7 and a molecular weight of 2317.16 g/mol. Its IUPAC name is 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

• Compound Name: 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• PubChem CID: 159438026
• Molecular Formula: C131H146N14O11S7
• Molecular Weight: 2317.16 g/mol
• Exact Mass: 2314.93
• IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• SMILES: CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc2nc(C)sc2c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc2ncn(C)c2c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc2nsnc2c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cn2ccnc2cc1C)CCCC3.Cc1nc2sc3c(c2c(-c2ccn4ccnc4c2)c1C(OC(C)(C)C)C(=O)O)CCCC3
• InChI: InChI=1S/2C27H31N3O2S.C27H30N2O2S2.C25H27N3O3S.C25H27N3O2S2/c1-15-22(25(16(2)31)32-27(3,4)5)23(17-11-12-19-20(13-17)30(6)14-28-19)24-18-9-7-8-10-21(18)33-26(24)29-15;1-15-13-21-28-11-12-30(21)14-19(15)23-22(25(17(3)31)32-27(4,5)6)16(2)29-26-24(23)18-9-7-8-10-20(18)33-26;1-14-22(25(15(2)30)31-27(4,5)6)23(17-11-12-19-21(13-17)32-16(3)29-19)24-18-9-7-8-10-20(18)33-26(24)28-14;1-14-19(22(24(29)30)31-25(2,3)4)20(15-9-11-28-12-10-26-18(28)13-15)21-16-7-5-6-8-17(16)32-23(21)27-14;1-13-20(23(14(2)29)30-25(3,4)5)21(15-10-11-17-18(12-15)28-32-27-17)22-16-8-6-7-9-19(16)31-24(22)26-13/h2*11-14,25H,7-10H2,1-6H3;11-13,25H,7-10H2,1-6H3;9-13,22H,5-8H2,1-4H3,(H,29,30);10-12,23H,6-9H2,1-5H3
• InChIKey: LRUZSWFGXOJZLC-UHFFFAOYSA-N
• XLogP: 32.89
• TPSA: 307.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2317.16
LogP ≤ 5	32.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The IUPAC name of 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 159438026) is 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

What is the SMILES notation for 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The canonical SMILES for 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc2nc(C)sc2c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc2ncn(C)c2c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc2nsnc2c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cn2ccnc2cc1C)CCCC3.Cc1nc2sc3c(c2c(-c2ccn4ccnc4c2)c1C(OC(C)(C)C)C(=O)O)CCCC3.

What is the InChIKey of 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The InChIKey is LRUZSWFGXOJZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31N3O2S.C27H30N2O2S2.C25H27N3O3S.C25H27N3O2S2/c1-15-22(25(16(2)31)32-27(3,4)5)23(17-11-12-19-20(13-17)30(6)14-28-19)24-18-9-7-8-10-21(18)33-26(24)29-15;1-15-13-21-28-11-12-30(21)14-19(15)23-22(25(17(3)31)32-27(4,5)6)16(2)29-26-24(23)18-9-7-8-10-20(18)33-26;1-14-22(25(15(2)30)31-27(4,5)6)23(17-11-12-19-21(13-17)32-16(3)29-19)24-18-9-7-8-10-20(18)33-26(24)28-14;1-14-19(22(24(29)30)31-25(2,3)4)20(15-9-11-28-12-10-26-18(28)13-15)21-16-7-5-6-8-17(16)32-23(21)27-14;1-13-20(23(14(2)29)30-25(3,4)5)21(15-10-11-17-18(12-15)28-32-27-17)22-16-8-6-7-9-19(16)31-24(22)26-13/h2*11-14,25H,7-10H2,1-6H3;11-13,25H,7-10H2,1-6H3;9-13,22H,5-8H2,1-4H3,(H,29,30);10-12,23H,6-9H2,1-5H3.

What are the key properties of 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2317.16 g/mol, XLogP of 32.89, 20 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,1,3-benzothiadiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;2-(4-imidazo[1,2-a]pyridin-7-yl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid;1-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(2-methyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[2-methyl-4-(7-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 159438026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).