1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

C78H49N17O11S7 — CID 159048162

About 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 159048162) has the molecular formula C78H49N17O11S7 and a molecular weight of 1624.83 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
• PubChem CID: 159048162
• Molecular Formula: C78H49N17O11S7
• Molecular Weight: 1624.83 g/mol
• Exact Mass: 1623.18
• IUPAC Name: 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
• SMILES: COC(=O)c1coc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.COC(=O)c1csc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.O=C(c1nc(-c2ncco2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2nccs2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2ncn[nH]2)cs1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C17H11N3O4S.C17H11N3O3S2.C15H9N3O2S.C15H9N3OS2.C14H9N5OS/c1-23-17(22)12-7-24-15(19-12)13-8-25-16(20-13)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-17(22)13-8-24-15(20-13)12-7-25-16(19-12)14(21)10-6-18-11-5-3-2-4-9(10)11;2*19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14;20-12(9-5-15-10-4-2-1-3-8(9)10)14-18-11(6-21-14)13-16-7-17-19-13/h2*2-8,18H,1H3;2*1-8,17H;1-7,15H,(H,16,17,19)
• InChIKey: JWXNEYNOJHNDNW-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 400.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.83
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?

The IUPAC name of 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (CID 159048162) is 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1coc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.COC(=O)c1csc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.O=C(c1nc(-c2ncco2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2nccs2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2ncn[nH]2)cs1)c1c[nH]c2ccccc12.

What is the InChIKey of 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?

The InChIKey is JWXNEYNOJHNDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4S.C17H11N3O3S2.C15H9N3O2S.C15H9N3OS2.C14H9N5OS/c1-23-17(22)12-7-24-15(19-12)13-8-25-16(20-13)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-17(22)13-8-24-15(20-13)12-7-25-16(19-12)14(21)10-6-18-11-5-3-2-4-9(10)11;2*19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14;20-12(9-5-15-10-4-2-1-3-8(9)10)14-18-11(6-21-14)13-16-7-17-19-13/h2*2-8,18H,1H3;2*1-8,17H;1-7,15H,(H,16,17,19).

What are the key properties of 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?

1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 1624.83 g/mol, XLogP of 17.19, 17 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 159048162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).