[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate

C21H19N3O3S — CID 88910767

IUPAC[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCC(C)COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C21H19N3O3S/c1-14(2)11-26-16-8-9-17-18(10-16)24(21-22-19(12-28-21)27-13-25)23-20(17)15-6-4-3-5-7-15/h3-10,12-14H,11H2,1-2H3
InChIKeyQIAPSVBXWILIIN-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.72
Rot. Bonds7

About [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910767) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910767
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCC(C)COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C21H19N3O3S/c1-14(2)11-26-16-8-9-17-18(10-16)24(21-22-19(12-28-21)27-13-25)23-20(17)15-6-4-3-5-7-15/h3-10,12-14H,11H2,1-2H3
InChIKeyQIAPSVBXWILIIN-UHFFFAOYSA-N
XLogP4.72
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-Methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179878
2-(6-Methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179936
2-(6-Ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59180001
4-(4-ethoxyphenyl)-2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole
CID 2716873
2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2716881
2-[3-Phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179994
[2-[3-(3-Fluoro-4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910731
[2-[3-Phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910771
[2-[3-(3,4-dihydro-2H-pyran-6-yl)-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910779
2-[5-(4-ethoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 1237010
4-{2-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl acetate
CID 1496741
4-{2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl acetate
CID 1496742

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910767) is [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate is CC(C)COc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.
What is the InChIKey of [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is QIAPSVBXWILIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14(2)11-26-16-8-9-17-18(10-16)24(21-22-19(12-28-21)27-13-25)23-20(17)15-6-4-3-5-7-15/h3-10,12-14H,11H2,1-2H3.
What are the key properties of [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 393.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-methylpropoxy)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).