tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde

C86H103F3MnN8O20S4 — CID 158663388

About tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde

tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde (PubChem CID 158663388) has the molecular formula C86H103F3MnN8O20S4 and a molecular weight of 1809.01 g/mol. Its IUPAC name is tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158663388
• Molecular Formula: C86H103F3MnN8O20S4
• Molecular Weight: 1809.01 g/mol
• Exact Mass: 1807.55
• IUPAC Name: tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1ccc2c(C(=O)C3=NC(C(C)C)CS3)c[nH]c2c1.COc1ccc2c(C(=O)C3=NC(C(C)C)CS3)cn(C(=O)OC(C)(C)C)c2c1.COc1ccc2c(C(=O)c3nc(C(C)C)cs3)c[nH]c2c1.COc1ccc2c(C(=O)c3nc(C(C)C)cs3)cn(C(=O)OC(C)(C)C)c2c1.O=CC(F)(F)F.O=[Mn]=O
• InChI: InChI=1S/C21H26N2O4S.C21H24N2O4S.C16H18N2O2S.C16H16N2O2S.C10H18O5.C2HF3O.Mn.2O/c2*1-12(2)16-11-28-19(22-16)18(24)15-10-23(20(25)27-21(3,4)5)17-9-13(26-6)7-8-14(15)17;2*1-9(2)14-8-21-16(18-14)15(19)12-7-17-13-6-10(20-3)4-5-11(12)13;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;3-2(4,5)1-6;;;/h7-10,12,16H,11H2,1-6H3;7-12H,1-6H3;4-7,9,14,17H,8H2,1-3H3;4-9,17H,1-3H3;1-6H3;1H
• InChIKey: KZJXCYQFUWQDCB-UHFFFAOYSA-N
• XLogP: 20.93
• TPSA: 362.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1809.01
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde?

The IUPAC name of tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde (CID 158663388) is tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1ccc2c(C(=O)C3=NC(C(C)C)CS3)c[nH]c2c1.COc1ccc2c(C(=O)C3=NC(C(C)C)CS3)cn(C(=O)OC(C)(C)C)c2c1.COc1ccc2c(C(=O)c3nc(C(C)C)cs3)c[nH]c2c1.COc1ccc2c(C(=O)c3nc(C(C)C)cs3)cn(C(=O)OC(C)(C)C)c2c1.O=CC(F)(F)F.O=[Mn]=O.

What is the InChIKey of tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde?

The InChIKey is KZJXCYQFUWQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S.C21H24N2O4S.C16H18N2O2S.C16H16N2O2S.C10H18O5.C2HF3O.Mn.2O/c2*1-12(2)16-11-28-19(22-16)18(24)15-10-23(20(25)27-21(3,4)5)17-9-13(26-6)7-8-14(15)17;2*1-9(2)14-8-21-16(18-14)15(19)12-7-17-13-6-10(20-3)4-5-11(12)13;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;3-2(4,5)1-6;;;/h7-10,12,16H,11H2,1-6H3;7-12H,1-6H3;4-7,9,14,17H,8H2,1-3H3;4-9,17H,1-3H3;1-6H3;1H;;;.

What are the key properties of tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde?

tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde has a molecular weight of 1809.01 g/mol, XLogP of 20.93, 16 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-methoxy-3-(4-propan-2-yl-4,5-dihydro-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl 6-methoxy-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)indole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;dioxomanganese;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone;(6-methoxy-1H-indol-3-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158663388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).