2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate

C93H77N9O16S6 — CID 159944669

About 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate

2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate (PubChem CID 159944669) has the molecular formula C93H77N9O16S6 and a molecular weight of 1769.09 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate
• PubChem CID: 159944669
• Molecular Formula: C93H77N9O16S6
• Molecular Weight: 1769.09 g/mol
• Exact Mass: 1767.38
• IUPAC Name: 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate
• SMILES: CC(C)c1csc(C(=O)C2=CCc3ccccc32)n1.CNC(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.COC(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.COC(=O)c1nc(C(=O)C2=CCc3ccccc32)sc1C.NC(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.O=C(OCCOCCO)c1csc(C(=O)c2c[nH]c3ccccc23)n1
• InChI: InChI=1S/C17H16N2O5S.C16H13NO3S.C16H15NOS.C15H12N2O2S.C15H11NO3S.C14H10N2O2S/c20-5-6-23-7-8-24-17(22)14-10-25-16(19-14)15(21)12-9-18-13-4-2-1-3-11(12)13;1-9-13(16(19)20-2)17-15(21-9)14(18)12-8-7-10-5-3-4-6-11(10)12;1-10(2)14-9-19-16(17-14)15(18)13-8-7-11-5-3-4-6-12(11)13;1-16-14(19)12-8-20-15(17-12)13(18)11-7-6-9-4-2-3-5-10(9)11;1-19-15(18)12-8-20-14(16-12)13(17)11-7-6-9-4-2-3-5-10(9)11;15-13(18)11-7-19-14(16-11)12(17)10-6-5-8-3-1-2-4-9(8)10/h1-4,9-10,18,20H,5-8H2;3-6,8H,7H2,1-2H3;3-6,8-10H,7H2,1-2H3;2-5,7-8H,6H2,1H3,(H,16,19);2-5,7-8H,6H2,1H3;1-4,6-7H,5H2,(H2,15,18)
• InChIKey: OBIJAISCPHWCGT-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 376.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1769.09
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate?

The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate (CID 159944669) is 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate.

What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate?

The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate is CC(C)c1csc(C(=O)C2=CCc3ccccc32)n1.CNC(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.COC(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.COC(=O)c1nc(C(=O)C2=CCc3ccccc32)sc1C.NC(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.O=C(OCCOCCO)c1csc(C(=O)c2c[nH]c3ccccc23)n1.

What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate?

The InChIKey is OBIJAISCPHWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S.C16H13NO3S.C16H15NOS.C15H12N2O2S.C15H11NO3S.C14H10N2O2S/c20-5-6-23-7-8-24-17(22)14-10-25-16(19-14)15(21)12-9-18-13-4-2-1-3-11(12)13;1-9-13(16(19)20-2)17-15(21-9)14(18)12-8-7-10-5-3-4-6-11(10)12;1-10(2)14-9-19-16(17-14)15(18)13-8-7-11-5-3-4-6-12(11)13;1-16-14(19)12-8-20-15(17-12)13(18)11-7-6-9-4-2-3-5-10(9)11;1-19-15(18)12-8-20-14(16-12)13(17)11-7-6-9-4-2-3-5-10(9)11;15-13(18)11-7-19-14(16-11)12(17)10-6-5-8-3-1-2-4-9(8)10/h1-4,9-10,18,20H,5-8H2;3-6,8H,7H2,1-2H3;3-6,8-10H,7H2,1-2H3;2-5,7-8H,6H2,1H3,(H,16,19);2-5,7-8H,6H2,1H3;1-4,6-7H,5H2,(H2,15,18).

What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate?

2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate has a molecular weight of 1769.09 g/mol, XLogP of 16.31, 23 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethoxy)ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-(3H-indene-1-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxamide;3H-inden-1-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;methyl 2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 159944669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).