methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate

C85H55N17O18S6 — CID 158457702

About methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate

methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate (PubChem CID 158457702) has the molecular formula C85H55N17O18S6 and a molecular weight of 1794.88 g/mol. Its IUPAC name is methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate
• PubChem CID: 158457702
• Molecular Formula: C85H55N17O18S6
• Molecular Weight: 1794.88 g/mol
• Exact Mass: 1793.22
• IUPAC Name: methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate
• SMILES: COC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.COC(=O)c1cnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)o1.COC(=O)c1cnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)s1.COC(=O)c1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.COC(=O)c1nnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)o1
• InChI: InChI=1S/C19H13N3O3S.C17H11N3O4S.C17H11N3O3S2.2C16H10N4O4S/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;1-23-17(22)13-7-19-15(24-13)12-8-25-16(20-12)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-17(22)13-7-19-15(25-13)12-8-24-16(20-12)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-16(22)14-20-19-13(24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10;1-23-16(22)14-19-13(20-24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10/h2-10,20H,1H3;2*2-8,18H,1H3;2*2-7,17H,1H3
• InChIKey: HETVOOXTAMTEGU-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 489.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.88
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate?

The IUPAC name of methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate (CID 158457702) is methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate.

What is the SMILES notation for methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate?

The canonical SMILES for methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.COC(=O)c1cnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)o1.COC(=O)c1cnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)s1.COC(=O)c1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.COC(=O)c1nnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)o1.

What is the InChIKey of methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate?

The InChIKey is HETVOOXTAMTEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S.C17H11N3O4S.C17H11N3O3S2.2C16H10N4O4S/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;1-23-17(22)13-7-19-15(24-13)12-8-25-16(20-12)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-17(22)13-7-19-15(25-13)12-8-24-16(20-12)14(21)10-6-18-11-5-3-2-4-9(10)11;1-23-16(22)14-20-19-13(24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10;1-23-16(22)14-19-13(20-24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10/h2-10,20H,1H3;2*2-8,18H,1H3;2*2-7,17H,1H3.

What are the key properties of methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate?

methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 1794.88 g/mol, XLogP of 16.15, 20 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 5-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazole-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 158457702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).