[2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

C95H73N15O12S5 — CID 162223487

About [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 162223487) has the molecular formula C95H73N15O12S5 and a molecular weight of 1777.06 g/mol. Its IUPAC name is [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
• PubChem CID: 162223487
• Molecular Formula: C95H73N15O12S5
• Molecular Weight: 1777.06 g/mol
• Exact Mass: 1775.42
• IUPAC Name: [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
• SMILES: C=Cc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.CC(C)(C)c1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.COCc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.O=COc1csc(-n2nc(-c3ccc(CO)cc3)c3ccccc32)n1
• InChI: InChI=1S/C21H19N3O2S.C19H15N3O3S.C19H13N3O2S.C18H13N3O3S.C18H13N3O2S/c1-21(2,3)15-10-8-14(9-11-15)19-16-6-4-5-7-17(16)24(23-19)20-22-18(12-27-20)26-13-25;1-24-10-13-6-8-14(9-7-13)18-15-4-2-3-5-16(15)22(21-18)19-20-17(11-26-19)25-12-23;1-2-13-7-9-14(10-8-13)18-15-5-3-4-6-16(15)22(21-18)19-20-17(11-25-19)24-12-23;22-9-12-5-7-13(8-6-12)17-14-3-1-2-4-15(14)21(20-17)18-19-16(10-25-18)24-11-23;1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)21(20-17)18-19-16(10-24-18)23-11-22/h4-13H,1-3H3;2-9,11-12H,10H2,1H3;2-12H,1H2;1-8,10-11,22H,9H2;2-11H,1H3
• InChIKey: ZULFXJRTZXVTJF-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 314.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1777.06
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The IUPAC name of [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 162223487) is [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

What is the SMILES notation for [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The canonical SMILES for [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is C=Cc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.CC(C)(C)c1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.COCc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.O=COc1csc(-n2nc(-c3ccc(CO)cc3)c3ccccc32)n1.

What is the InChIKey of [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The InChIKey is ZULFXJRTZXVTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S.C19H15N3O3S.C19H13N3O2S.C18H13N3O3S.C18H13N3O2S/c1-21(2,3)15-10-8-14(9-11-15)19-16-6-4-5-7-17(16)24(23-19)20-22-18(12-27-20)26-13-25;1-24-10-13-6-8-14(9-7-13)18-15-4-2-3-5-16(15)22(21-18)19-20-17(11-26-19)25-12-23;1-2-13-7-9-14(10-8-13)18-15-5-3-4-6-16(15)22(21-18)19-20-17(11-25-19)24-12-23;22-9-12-5-7-13(8-6-12)17-14-3-1-2-4-15(14)21(20-17)18-19-16(10-25-18)24-11-23;1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)21(20-17)18-19-16(10-24-18)23-11-22/h4-13H,1-3H3;2-9,11-12H,10H2,1H3;2-12H,1H2;1-8,10-11,22H,9H2;2-11H,1H3.

What are the key properties of [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?

[2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 1777.06 g/mol, XLogP of 20.31, 24 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(4-tert-butylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-ethenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 162223487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).