2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide

C111H112N18O9S7 — CID 160586202

About 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide

2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide (PubChem CID 160586202) has the molecular formula C111H112N18O9S7 and a molecular weight of 2066.70 g/mol. Its IUPAC name is 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide
• PubChem CID: 160586202
• Molecular Formula: C111H112N18O9S7
• Molecular Weight: 2066.70 g/mol
• Exact Mass: 2064.69
• IUPAC Name: 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide
• SMILES: C=S(N)(=O)c1ccc(OCC)c(Cc2nc(-n3c(C)nc4ccccc43)cs2)c1.CC(=O)c1ccc(OC(C)C)c(Nc2nc(-c3nc4ccccc4n3C)cs2)c1.CC(=O)c1ccc(OC(C)C)c(Nc2nc(-c3sc4ccccc4c3C)cs2)c1.COc1cc(C)c(C(N)=O)cc1Cc1nc(-c2ccc3c(c2)ncn3C)cs1.Cc1cc(CC(C)C)c(Cc2nc(-c3ccc4c(c3)ncn4C)cs2)cc1C(N)=O
• InChI: InChI=1S/C24H26N4OS.C23H22N2O2S2.C22H22N4O2S.C21H22N4O2S2.C21H20N4O2S/c1-14(2)7-17-8-15(3)19(24(25)29)9-18(17)11-23-27-21(12-30-23)16-5-6-22-20(10-16)26-13-28(22)4;1-13(2)27-20-10-9-16(15(4)26)11-18(20)24-23-25-19(12-28-23)22-14(3)17-7-5-6-8-21(17)29-22;1-13(2)28-20-10-9-15(14(3)27)11-17(20)24-22-25-18(12-29-22)21-23-16-7-5-6-8-19(16)26(21)4;1-4-27-19-10-9-16(29(3,22)26)11-15(19)12-21-24-20(13-28-21)25-14(2)23-17-7-5-6-8-18(17)25;1-12-6-19(27-3)14(7-15(12)21(22)26)9-20-24-17(10-28-20)13-4-5-18-16(8-13)23-11-25(18)2/h5-6,8-10,12-14H,7,11H2,1-4H3,(H2,25,29);2*5-13H,1-4H3,(H,24,25);5-11,13H,3-4,12H2,1-2H3,(H2,22,26);4-8,10-11H,9H2,1-3H3,(H2,22,26)
• InChIKey: RCKPKHCKRGAYGG-UHFFFAOYSA-N
• XLogP: 24.82
• TPSA: 360.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2066.70
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide?

The IUPAC name of 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide (CID 160586202) is 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide.

What is the SMILES notation for 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide?

The canonical SMILES for 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide is C=S(N)(=O)c1ccc(OCC)c(Cc2nc(-n3c(C)nc4ccccc43)cs2)c1.CC(=O)c1ccc(OC(C)C)c(Nc2nc(-c3nc4ccccc4n3C)cs2)c1.CC(=O)c1ccc(OC(C)C)c(Nc2nc(-c3sc4ccccc4c3C)cs2)c1.COc1cc(C)c(C(N)=O)cc1Cc1nc(-c2ccc3c(c2)ncn3C)cs1.Cc1cc(CC(C)C)c(Cc2nc(-c3ccc4c(c3)ncn4C)cs2)cc1C(N)=O.

What is the InChIKey of 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide?

The InChIKey is RCKPKHCKRGAYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS.C23H22N2O2S2.C22H22N4O2S.C21H22N4O2S2.C21H20N4O2S/c1-14(2)7-17-8-15(3)19(24(25)29)9-18(17)11-23-27-21(12-30-23)16-5-6-22-20(10-16)26-13-28(22)4;1-13(2)27-20-10-9-16(15(4)26)11-18(20)24-23-25-19(12-28-23)22-14(3)17-7-5-6-8-21(17)29-22;1-13(2)28-20-10-9-15(14(3)27)11-17(20)24-22-25-18(12-29-22)21-23-16-7-5-6-8-19(16)26(21)4;1-4-27-19-10-9-16(29(3,22)26)11-15(19)12-21-24-20(13-28-21)25-14(2)23-17-7-5-6-8-18(17)25;1-12-6-19(27-3)14(7-15(12)21(22)26)9-20-24-17(10-28-20)13-4-5-18-16(8-13)23-11-25(18)2/h5-6,8-10,12-14H,7,11H2,1-4H3,(H2,25,29);2*5-13H,1-4H3,(H,24,25);5-11,13H,3-4,12H2,1-2H3,(H2,22,26);4-8,10-11H,9H2,1-3H3,(H2,22,26).

What are the key properties of 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide?

2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide has a molecular weight of 2066.70 g/mol, XLogP of 24.82, 29 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(amino-methylidene-oxo-λ6-sulfanyl)-2-ethoxyphenyl]methyl]-4-(2-methylbenzimidazol-1-yl)-1,3-thiazole;4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide;1-[3-[[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;1-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxyphenyl]ethanone;2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 160586202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).