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

C20H17N3O3S — CID 88910768

IUPAC[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESCC(C)Oc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C20H17N3O3S/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/h3-13H,1-2H3
InChIKeyJVCQFVPKIAMVRD-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.47
Rot. Bonds6

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

[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910768) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910768
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESCC(C)Oc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C20H17N3O3S/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/h3-13H,1-2H3
InChIKeyJVCQFVPKIAMVRD-UHFFFAOYSA-N
XLogP4.47
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 88910768) is [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate is CC(C)Oc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.
What is the InChIKey of [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is JVCQFVPKIAMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/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/h3-13H,1-2H3.
What are the key properties of [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate?
[2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 379.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenyl-6-propan-2-yloxyindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).