bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid

C81H82Cl2N10O12S7 — CID 158921530

About bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid

bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid (PubChem CID 158921530) has the molecular formula C81H82Cl2N10O12S7 and a molecular weight of 1682.98 g/mol. Its IUPAC name is bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid
• PubChem CID: 158921530
• Molecular Formula: C81H82Cl2N10O12S7
• Molecular Weight: 1682.98 g/mol
• Exact Mass: 1680.35
• IUPAC Name: bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid
• SMILES: CC(C)c1cnc(C(=O)Cl)s1.CC(C)c1cnc(C(=O)O)s1.CC(C)c1cnc(C(=O)c2c[nH]c3ccccc23)s1.CC(C)c1nc(C(=O)Cl)cs1.CC(C)c1nc(C(=O)O)cs1.CC(C)c1nc(C(=O)c2c[nH]c3ccccc23)cs1.COC(=O)c1ccc(C(=O)O)s1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
• InChI: InChI=1S/2C15H14N2OS.2C8H7N.2C7H8ClNOS.2C7H9NO2S.C7H6O4S/c1-9(2)15-17-13(8-19-15)14(18)11-7-16-12-6-4-3-5-10(11)12;1-9(2)13-8-17-15(19-13)14(18)11-7-16-12-6-4-3-5-10(11)12;2*1-2-4-8-7(3-1)5-6-9-8;1-4(2)7-9-5(3-11-7)6(8)10;1-4(2)5-3-9-7(11-5)6(8)10;1-4(2)6-8-5(3-11-6)7(9)10;1-4(2)5-3-8-6(11-5)7(9)10;1-11-7(10)5-3-2-4(12-5)6(8)9/h2*3-9,16H,1-2H3;2*1-6,9H;2*3-4H,1-2H3;2*3-4H,1-2H3,(H,9,10);2-3H,1H3,(H,8,9)
• InChIKey: JHWYAKATOSKPSB-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 346.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1682.98
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid?

The IUPAC name of bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid (CID 158921530) is bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid.

What is the SMILES notation for bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid?

The canonical SMILES for bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid is CC(C)c1cnc(C(=O)Cl)s1.CC(C)c1cnc(C(=O)O)s1.CC(C)c1cnc(C(=O)c2c[nH]c3ccccc23)s1.CC(C)c1nc(C(=O)Cl)cs1.CC(C)c1nc(C(=O)O)cs1.CC(C)c1nc(C(=O)c2c[nH]c3ccccc23)cs1.COC(=O)c1ccc(C(=O)O)s1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.

What is the InChIKey of bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid?

The InChIKey is JHWYAKATOSKPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14N2OS.2C8H7N.2C7H8ClNOS.2C7H9NO2S.C7H6O4S/c1-9(2)15-17-13(8-19-15)14(18)11-7-16-12-6-4-3-5-10(11)12;1-9(2)13-8-17-15(19-13)14(18)11-7-16-12-6-4-3-5-10(11)12;2*1-2-4-8-7(3-1)5-6-9-8;1-4(2)7-9-5(3-11-7)6(8)10;1-4(2)5-3-9-7(11-5)6(8)10;1-4(2)6-8-5(3-11-6)7(9)10;1-4(2)5-3-8-6(11-5)7(9)10;1-11-7(10)5-3-2-4(12-5)6(8)9/h2*3-9,16H,1-2H3;2*1-6,9H;2*3-4H,1-2H3;2*3-4H,1-2H3,(H,9,10);2-3H,1H3,(H,8,9).

What are the key properties of bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid?

bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid has a molecular weight of 1682.98 g/mol, XLogP of 22.75, 16 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1H-indole);1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(5-propan-2-yl-1,3-thiazol-2-yl)methanone;5-methoxycarbonylthiophene-2-carboxylic acid;2-propan-2-yl-1,3-thiazole-4-carbonyl chloride;5-propan-2-yl-1,3-thiazole-2-carbonyl chloride;2-propan-2-yl-1,3-thiazole-4-carboxylic acid;5-propan-2-yl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 158921530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).