1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)

C80H71N13O12S4 — CID 158995966

About 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)

1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) (PubChem CID 158995966) has the molecular formula C80H71N13O12S4 and a molecular weight of 1534.79 g/mol. Its IUPAC name is 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate).

Molecular Properties

• Compound Name: 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)
• PubChem CID: 158995966
• Molecular Formula: C80H71N13O12S4
• Molecular Weight: 1534.79 g/mol
• Exact Mass: 1533.42
• IUPAC Name: 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)
• SMILES: C.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.O=C(c1ccccn1)c1c[nH]c2ccccc12.O=C(c1cccnc1)c1c[nH]c2ccccc12.O=C(c1ccncc1)c1c[nH]c2ccccc12.O=C(c1cnccn1)c1c[nH]c2ccccc12
• InChI: InChI=1S/3C14H10N2O.C13H9N3O.4C6H7NO2S.CH4/c17-14(10-4-3-7-15-8-10)12-9-16-13-6-2-1-5-11(12)13;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12;17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13;17-13(12-8-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11;4*1-4-7-5(3-10-4)6(8)9-2;/h3*1-9,16H;1-8,16H;4*3H,1-2H3;1H4
• InChIKey: JQSZAMBCFOKYBN-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 352.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.79
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)?

The IUPAC name of 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) (CID 158995966) is 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate).

What is the SMILES notation for 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)?

The canonical SMILES for 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) is C.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.COC(=O)c1csc(C)n1.O=C(c1ccccn1)c1c[nH]c2ccccc12.O=C(c1cccnc1)c1c[nH]c2ccccc12.O=C(c1ccncc1)c1c[nH]c2ccccc12.O=C(c1cnccn1)c1c[nH]c2ccccc12.

What is the InChIKey of 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)?

The InChIKey is JQSZAMBCFOKYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H10N2O.C13H9N3O.4C6H7NO2S.CH4/c17-14(10-4-3-7-15-8-10)12-9-16-13-6-2-1-5-11(12)13;17-14(13-7-3-4-8-15-13)11-9-16-12-6-2-1-5-10(11)12;17-14(10-5-7-15-8-6-10)12-9-16-13-4-2-1-3-11(12)13;17-13(12-8-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11;4*1-4-7-5(3-10-4)6(8)9-2;/h3*1-9,16H;1-8,16H;4*3H,1-2H3;1H4.

What are the key properties of 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate)?

1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) has a molecular weight of 1534.79 g/mol, XLogP of 16.16, 12 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-3-yl(pyrazin-2-yl)methanone;1H-indol-3-yl(pyridin-2-yl)methanone;1H-indol-3-yl(pyridin-3-yl)methanone;1H-indol-3-yl(pyridin-4-yl)methanone;methane;tetrakis(methyl 2-methyl-1,3-thiazole-4-carboxylate) is sourced from PubChem (CID 158995966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).