2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole

C11H7F3N2O4S — CID 133382096

IUPAC2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(Oc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7F3N2O4S/c1-19-6-2-3-8(7(4-6)16(17)18)20-10-15-9(5-21-10)11(12,13)14/h2-5H,1H3
InChIKeyFCLNBYROQZEDPI-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole

2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133382096) has the molecular formula C11H7F3N2O4S and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133382096
Molecular FormulaC11H7F3N2O4S
Molecular Weight320.25 g/mol
Exact Mass320.01
IUPAC Name2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(Oc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7F3N2O4S/c1-19-6-2-3-8(7(4-6)16(17)18)20-10-15-9(5-21-10)11(12,13)14/h2-5H,1H3
InChIKeyFCLNBYROQZEDPI-UHFFFAOYSA-N
XLogP3.87
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole 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 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole (CID 133382096) is 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole is COc1ccc(Oc2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FCLNBYROQZEDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O4S/c1-19-6-2-3-8(7(4-6)16(17)18)20-10-15-9(5-21-10)11(12,13)14/h2-5H,1H3.
What are the key properties of 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 320.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133382096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).