[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate

C20H17N3O3S — CID 88910772

IUPAC[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESCCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C20H17N3O3S/c1-2-10-25-15-8-9-16-17(11-15)23(20-21-18(12-27-20)26-13-24)22-19(16)14-6-4-3-5-7-14/h3-9,11-13H,2,10H2,1H3
InChIKeyGESIXKPGINVBEE-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.47
Rot. Bonds7

About [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate

[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910772) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910772
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESCCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C20H17N3O3S/c1-2-10-25-15-8-9-16-17(11-15)23(20-21-18(12-27-20)26-13-24)22-19(16)14-6-4-3-5-7-14/h3-9,11-13H,2,10H2,1H3
InChIKeyGESIXKPGINVBEE-UHFFFAOYSA-N
XLogP4.47
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910758
[2-[3-phenyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910771
[2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910732
[2-[6-(3-methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179866
[2-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-(3-hydroxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate;bis([2-[3-(3-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate);[2-[3-(3-phenylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 123945518
[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179926
2-(3,6-diphenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179873
ethyl 2-[6-(2,2-dimethylpropanoylamino)-3-phenylindazol-1-yl]-1,3-thiazole-4-carboxylate
CID 67059782
5-ethyl-2-[3-phenyl-6-[(E)-prop-1-enyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 67059761
2-methyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197835
2-phenyl-8-propoxypyrido[1,2-a]pyrimidin-4-one
CID 58425404
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 88910772) is [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate is CCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.
What is the InChIKey of [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is GESIXKPGINVBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-10-25-15-8-9-16-17(11-15)23(20-21-18(12-27-20)26-13-24)22-19(16)14-6-4-3-5-7-14/h3-9,11-13H,2,10H2,1H3.
What are the key properties of [2-(3-phenyl-6-propoxyindazol-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 379.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).