[2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate

C96H68IN15O11S5 — CID 159361547

About [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 159361547) has the molecular formula C96H68IN15O11S5 and a molecular weight of 1894.93 g/mol. Its IUPAC name is [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate
• PubChem CID: 159361547
• Molecular Formula: C96H68IN15O11S5
• Molecular Weight: 1894.93 g/mol
• Exact Mass: 1893.29
• IUPAC Name: [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate
• SMILES: C/C=C/c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.C/C=C\c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.C=Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(/C=C/CO)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(I)cc32)n1
• InChI: InChI=1S/C20H15N3O3S.2C20H15N3O2S.C19H13N3O2S.C17H10IN3O2S/c24-10-4-5-14-8-9-16-17(11-14)23(20-21-18(12-27-20)26-13-25)22-19(16)15-6-2-1-3-7-15;2*1-2-6-14-9-10-16-17(11-14)23(20-21-18(12-26-20)25-13-24)22-19(16)15-7-4-3-5-8-15;1-2-13-8-9-15-16(10-13)22(19-20-17(11-25-19)24-12-23)21-18(15)14-6-4-3-5-7-14;18-12-6-7-13-14(8-12)21(17-19-15(9-24-17)23-10-22)20-16(13)11-4-2-1-3-5-11/h1-9,11-13,24H,10H2;2*2-13H,1H3;2-12H,1H2;1-10H/b5-4+;6-2+;6-2-
• InChIKey: LIPKTVISBMYGIN-FPUFBUSXSA-N
• XLogP: 21.74
• TPSA: 305.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.93
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate?

The IUPAC name of [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 159361547) is [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate.

What is the SMILES notation for [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate?

The canonical SMILES for [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate is C/C=C/c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.C/C=C\c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.C=Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(/C=C/CO)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(I)cc32)n1.

What is the InChIKey of [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate?

The InChIKey is LIPKTVISBMYGIN-FPUFBUSXSA-N. The full InChI is InChI=1S/C20H15N3O3S.2C20H15N3O2S.C19H13N3O2S.C17H10IN3O2S/c24-10-4-5-14-8-9-16-17(11-14)23(20-21-18(12-27-20)26-13-25)22-19(16)15-6-2-1-3-7-15;2*1-2-6-14-9-10-16-17(11-14)23(20-21-18(12-26-20)25-13-24)22-19(16)15-7-4-3-5-8-15;1-2-13-8-9-15-16(10-13)22(19-20-17(11-25-19)24-12-23)21-18(15)14-6-4-3-5-7-14;18-12-6-7-13-14(8-12)21(17-19-15(9-24-17)23-10-22)20-16(13)11-4-2-1-3-5-11/h1-9,11-13,24H,10H2;2*2-13H,1H3;2-12H,1H2;1-10H/b5-4+;6-2+;6-2-;;.

What are the key properties of [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate?

[2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 1894.93 g/mol, XLogP of 21.74, 25 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-ethenyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[6-[(E)-3-hydroxyprop-1-enyl]-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-iodo-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 159361547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).