1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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

C67H44N14O14S5 — CID 158523482

About 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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

1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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 (PubChem CID 158523482) has the molecular formula C67H44N14O14S5 and a molecular weight of 1429.51 g/mol. Its IUPAC name is 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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.

Molecular Properties

• Compound Name: 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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
• PubChem CID: 158523482
• Molecular Formula: C67H44N14O14S5
• Molecular Weight: 1429.51 g/mol
• Exact Mass: 1428.18
• IUPAC Name: 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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
• SMILES: CCC(=O)c1cnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)s1.COC(=O)c1cnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)o1.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/C18H13N3O2S2.C17H11N3O4S.2C16H10N4O4S/c1-2-14(22)15-8-20-17(25-15)13-9-24-18(21-13)16(23)11-7-19-12-6-4-3-5-10(11)12;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;1-23-16(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/h3-9,19H,2H2,1H3;2-8,18H,1H3;2*2-7,17H,1H3
• InChIKey: HMMUEFYXLKBENO-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 395.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.51
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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?

The IUPAC name of 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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 (CID 158523482) is 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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.

What is the SMILES notation for 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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?

The canonical SMILES for 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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 is CCC(=O)c1cnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)s1.COC(=O)c1cnc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)o1.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 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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?

The InChIKey is HMMUEFYXLKBENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2.C17H11N3O4S.2C16H10N4O4S/c1-2-14(22)15-8-20-17(25-15)13-9-24-18(21-13)16(23)11-7-19-12-6-4-3-5-10(11)12;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;1-23-16(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/h3-9,19H,2H2,1H3;2-8,18H,1H3;2*2-7,17H,1H3.

What are the key properties of 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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?

1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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 has a molecular weight of 1429.51 g/mol, XLogP of 13.25, 17 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-5-yl]propan-1-one;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 is sourced from PubChem (CID 158523482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).