[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate

C94H73N15O15S5 — CID 159758439

IUPAC[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESCC(C)Oc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(O)cc32)n1
InChIInChI=1S/2C20H17N3O3S.C19H15N3O3S.C18H13N3O3S.C17H11N3O3S/c1-13(2)26-15-8-9-16-17(10-15)23(20-21-18(11-27-20)25-12-24)22-19(16)14-6-4-3-5-7-14;1-2-10-25-15-8-9-16-17(11-15)23(20-21-18(12-27-20)26-13-24)22-19(16)14-6-4-3-5-7-14;1-2-24-14-8-9-15-16(10-14)22(19-20-17(11-26-19)25-12-23)21-18(15)13-6-4-3-5-7-13;1-23-13-7-8-14-15(9-13)21(18-19-16(10-25-18)24-11-22)20-17(14)12-5-3-2-4-6-12;21-10-23-15-9-24-17(18-15)20-14-8-12(22)6-7-13(14)16(19-20)11-4-2-1-3-5-11/h3-13H,1-2H3;3-9,11-13H,2,10H2,1H3;3-12H,2H2,1H3;2-11H,1H3;1-10,22H
InChIKeyNEOJLXUWBPRMJQ-UHFFFAOYSA-N
MW1813.04 g/mol
LogP20.11
Rot. Bonds28

About [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate

[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 159758439) has the molecular formula C94H73N15O15S5 and a molecular weight of 1813.04 g/mol. Its IUPAC name is [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID159758439
Molecular FormulaC94H73N15O15S5
Molecular Weight1813.04 g/mol
Exact Mass1811.40
IUPAC Name[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESCC(C)Oc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(O)cc32)n1
InChIInChI=1S/2C20H17N3O3S.C19H15N3O3S.C18H13N3O3S.C17H11N3O3S/c1-13(2)26-15-8-9-16-17(10-15)23(20-21-18(11-27-20)25-12-24)22-19(16)14-6-4-3-5-7-14;1-2-10-25-15-8-9-16-17(11-15)23(20-21-18(12-27-20)26-13-24)22-19(16)14-6-4-3-5-7-14;1-2-24-14-8-9-15-16(10-14)22(19-20-17(11-26-19)25-12-23)21-18(15)13-6-4-3-5-7-13;1-23-13-7-8-14-15(9-13)21(18-19-16(10-25-18)24-11-22)20-17(14)12-5-3-2-4-6-12;21-10-23-15-9-24-17(18-15)20-14-8-12(22)6-7-13(14)16(19-20)11-4-2-1-3-5-11/h3-13H,1-2H3;3-9,11-13H,2,10H2,1H3;3-12H,2H2,1H3;2-11H,1H3;1-10,22H
InChIKeyNEOJLXUWBPRMJQ-UHFFFAOYSA-N
XLogP20.11
TPSA342.20 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001813.04
LogP ≤ 520.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate with MolForge

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Related Compounds

[2-[3-Phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910771
Carbon dioxide;[2-(3,6-diphenylindazol-1-yl)-1,3-thiazol-4-yl] formate;1-(4-ethyl-1,3-thiazol-2-yl)-3-phenylindazol-6-ol;[2-(6-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(5-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-5-(trifluoromethyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 157292946
[2-[3-(Cyclohexen-1-yl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(6-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-(2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(4-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 157991006
[2-[3-(4-Phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910714
[2-(6-Methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910756
[2-(6-Ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910758
[2-[6-(2-Methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910767
[2-(3-Phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910768
[2-(6-Butoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910769
[2-(3-Phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910772
[2-(6-Cyclopentyloxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910776
[2-(3-Phenyl-6-phenylmethoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910777

Frequently Asked Questions

What is the IUPAC name of [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 159758439) is [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate is CC(C)Oc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.CCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(O)cc32)n1.
What is the InChIKey of [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is NEOJLXUWBPRMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17N3O3S.C19H15N3O3S.C18H13N3O3S.C17H11N3O3S/c1-13(2)26-15-8-9-16-17(10-15)23(20-21-18(11-27-20)25-12-24)22-19(16)14-6-4-3-5-7-14;1-2-10-25-15-8-9-16-17(11-15)23(20-21-18(12-27-20)26-13-24)22-19(16)14-6-4-3-5-7-14;1-2-24-14-8-9-15-16(10-14)22(19-20-17(11-26-19)25-12-23)21-18(15)13-6-4-3-5-7-13;1-23-13-7-8-14-15(9-13)21(18-19-16(10-25-18)24-11-22)20-17(14)12-5-3-2-4-6-12;21-10-23-15-9-24-17(18-15)20-14-8-12(22)6-7-13(14)16(19-20)11-4-2-1-3-5-11/h3-13H,1-2H3;3-9,11-13H,2,10H2,1H3;3-12H,2H2,1H3;2-11H,1H3;1-10,22H.
What are the key properties of [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 1813.04 g/mol, XLogP of 20.11, 28 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-hydroxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 159758439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).