prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate

C23H19N3O4S — CID 89320076

IUPACprop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate
SMILESC=CCOC(=O)C(Oc1nc(-c2nccs2)cc(-c2ccco2)c1N)c1ccccc1
InChIInChI=1S/C23H19N3O4S/c1-2-11-29-23(27)20(15-7-4-3-5-8-15)30-21-19(24)16(18-9-6-12-28-18)14-17(26-21)22-25-10-13-31-22/h2-10,12-14,20H,1,11,24H2
InChIKeyFAXZMHKTLCFESP-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.90
Rot. Bonds8

About prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate

prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate (PubChem CID 89320076) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate
PubChem CID89320076
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Nameprop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate
SMILESC=CCOC(=O)C(Oc1nc(-c2nccs2)cc(-c2ccco2)c1N)c1ccccc1
InChIInChI=1S/C23H19N3O4S/c1-2-11-29-23(27)20(15-7-4-3-5-8-15)30-21-19(24)16(18-9-6-12-28-18)14-17(26-21)22-25-10-13-31-22/h2-10,12-14,20H,1,11,24H2
InChIKeyFAXZMHKTLCFESP-UHFFFAOYSA-N
XLogP4.90
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate?
The IUPAC name of prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate (CID 89320076) is prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate.
What is the SMILES notation for prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate?
The canonical SMILES for prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate is C=CCOC(=O)C(Oc1nc(-c2nccs2)cc(-c2ccco2)c1N)c1ccccc1.
What is the InChIKey of prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate?
The InChIKey is FAXZMHKTLCFESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-2-11-29-23(27)20(15-7-4-3-5-8-15)30-21-19(24)16(18-9-6-12-28-18)14-17(26-21)22-25-10-13-31-22/h2-10,12-14,20H,1,11,24H2.
What are the key properties of prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate?
prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate has a molecular weight of 433.49 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate is sourced from PubChem (CID 89320076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).