tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane

C68H83BrN12O10S2Sn — CID 159998705

About tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane

tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane (PubChem CID 159998705) has the molecular formula C68H83BrN12O10S2Sn and a molecular weight of 1491.23 g/mol. Its IUPAC name is tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane.

Molecular Properties

• Compound Name: tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane
• PubChem CID: 159998705
• Molecular Formula: C68H83BrN12O10S2Sn
• Molecular Weight: 1491.23 g/mol
• Exact Mass: 1490.40
• IUPAC Name: tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane
• SMILES: CC(C)(C)OC(=O)N(c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)c1nnc(-c2cccc(-c3ncco3)c2)s1.CC(C)(C)OC(=O)N(c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)c1nnc(-c2cccc(Br)c2)s1.CCCC[Sn](CCCC)(CCCC)c1ncco1
• InChI: InChI=1S/C28H28N6O5S.C25H26BrN5O4S.3C4H9.C3H2NO.Sn/c1-27(2,3)38-25(35)33(20-10-11-21-19(15-20)16-30-34(21)26(36)39-28(4,5)6)24-32-31-23(40-24)18-9-7-8-17(14-18)22-29-12-13-37-22;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;3*1-3-4-2;1-2-5-3-4-1;/h7-16H,1-6H3;7-14H,1-6H3;3*1,3-4H2,2H3;1-2H
• InChIKey: OHWQSHMQGAOKHX-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 250.94 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.23
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane?

The IUPAC name of tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane (CID 159998705) is tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane.

What is the SMILES notation for tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane?

The canonical SMILES for tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane is CC(C)(C)OC(=O)N(c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)c1nnc(-c2cccc(-c3ncco3)c2)s1.CC(C)(C)OC(=O)N(c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)c1nnc(-c2cccc(Br)c2)s1.CCCC[Sn](CCCC)(CCCC)c1ncco1.

What is the InChIKey of tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane?

The InChIKey is OHWQSHMQGAOKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O5S.C25H26BrN5O4S.3C4H9.C3H2NO.Sn/c1-27(2,3)38-25(35)33(20-10-11-21-19(15-20)16-30-34(21)26(36)39-28(4,5)6)24-32-31-23(40-24)18-9-7-8-17(14-18)22-29-12-13-37-22;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;3*1-3-4-2;1-2-5-3-4-1;/h7-16H,1-6H3;7-14H,1-6H3;3*1,3-4H2,2H3;1-2H;.

What are the key properties of tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane?

tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane has a molecular weight of 1491.23 g/mol, XLogP of 18.97, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[[5-(3-bromophenyl)-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-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-yl]amino]indazole-1-carboxylate;tributyl(1,3-oxazol-2-yl)stannane is sourced from PubChem (CID 159998705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).