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

C51H36N10O11S4 — CID 158647783

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

methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate (PubChem CID 158647783) has the molecular formula C51H36N10O11S4 and a molecular weight of 1093.18 g/mol. Its IUPAC name is methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate
• PubChem CID: 158647783
• Molecular Formula: C51H36N10O11S4
• Molecular Weight: 1093.18 g/mol
• Exact Mass: 1092.14
• IUPAC Name: methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate
• SMILES: C.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
• InChI: InChI=1S/C17H11N3O4S.C17H11N3O3S2.C16H10N4O4S.CH4/c1-23-17(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)14-19-13(20-24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10;/h2*2-8,18H,1H3;2-7,17H,1H3;1H4
• InChIKey: IBEHWTXAIOOBKB-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 293.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.18
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate (CID 158647783) is methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate.

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

The canonical SMILES for methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate is C.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.

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

The InChIKey is IBEHWTXAIOOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4S.C17H11N3O3S2.C16H10N4O4S.CH4/c1-23-17(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)14-19-13(20-24-14)11-7-25-15(18-11)12(21)9-6-17-10-5-3-2-4-8(9)10;/h2*2-8,18H,1H3;2-7,17H,1H3;1H4.

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

methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 1093.18 g/mol, XLogP of 10.39, 12 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl 3-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-oxazole-5-carboxylate;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 158647783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).