tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride

C60H65ClN16O10S2 — CID 160506627

About tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride

tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride (PubChem CID 160506627) has the molecular formula C60H65ClN16O10S2 and a molecular weight of 1269.87 g/mol. Its IUPAC name is tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride.

Molecular Properties

• Compound Name: tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride
• PubChem CID: 160506627
• Molecular Formula: C60H65ClN16O10S2
• Molecular Weight: 1269.87 g/mol
• Exact Mass: 1268.42
• IUPAC Name: tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride
• SMILES: CC(C)(C)OC(=O)N(c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)c1nnc(-c2cccc(N)c2)s1.Cc1cc(C(=O)Cl)n[nH]1.Cc1cc(C(=O)Nc2cccc(-c3nnc(N(C(=O)OC(C)(C)C)c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)s3)c2)n[nH]1
• InChI: InChI=1S/C30H32N8O5S.C25H28N6O4S.C5H5ClN2O/c1-17-13-22(34-33-17)24(39)32-20-10-8-9-18(14-20)25-35-36-26(44-25)37(27(40)42-29(2,3)4)21-11-12-23-19(15-21)16-31-38(23)28(41)43-30(5,6)7;1-24(2,3)34-22(32)30(21-29-28-20(36-21)15-8-7-9-17(26)12-15)18-10-11-19-16(13-18)14-27-31(19)23(33)35-25(4,5)6;1-3-2-4(5(6)9)8-7-3/h8-16H,1-7H3,(H,32,39)(H,33,34);7-14H,26H2,1-6H3;2H,1H3,(H,7,8)
• InChIKey: QSMNAUQPGRMSSR-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 328.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1269.87
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride?

The IUPAC name of tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride (CID 160506627) is tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride.

What is the SMILES notation for tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride?

The canonical SMILES for tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride is CC(C)(C)OC(=O)N(c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)c1nnc(-c2cccc(N)c2)s1.Cc1cc(C(=O)Cl)n[nH]1.Cc1cc(C(=O)Nc2cccc(-c3nnc(N(C(=O)OC(C)(C)C)c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)s3)c2)n[nH]1.

What is the InChIKey of tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride?

The InChIKey is QSMNAUQPGRMSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O5S.C25H28N6O4S.C5H5ClN2O/c1-17-13-22(34-33-17)24(39)32-20-10-8-9-18(14-20)25-35-36-26(44-25)37(27(40)42-29(2,3)4)21-11-12-23-19(15-21)16-31-38(23)28(41)43-30(5,6)7;1-24(2,3)34-22(32)30(21-29-28-20(36-21)15-8-7-9-17(26)12-15)18-10-11-19-16(13-18)14-27-31(19)23(33)35-25(4,5)6;1-3-2-4(5(6)9)8-7-3/h8-16H,1-7H3,(H,32,39)(H,33,34);7-14H,26H2,1-6H3;2H,1H3,(H,7,8).

What are the key properties of tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride?

tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride has a molecular weight of 1269.87 g/mol, XLogP of 13.79, 9 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate;tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonyl-[5-[3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;5-methyl-1H-pyrazole-3-carbonyl chloride is sourced from PubChem (CID 160506627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).