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

C10H5F3N2O3S — CID 133381575

IUPAC2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C10H5F3N2O3S/c11-10(12,13)8-5-19-9(14-8)18-7-3-1-6(2-4-7)15(16)17/h1-5H
InChIKeyOXLVIMHPIBZZKY-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.86
Rot. Bonds3

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

2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133381575) has the molecular formula C10H5F3N2O3S and a molecular weight of 290.22 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133381575
Molecular FormulaC10H5F3N2O3S
Molecular Weight290.22 g/mol
Exact Mass290.00
IUPAC Name2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C10H5F3N2O3S/c11-10(12,13)8-5-19-9(14-8)18-7-3-1-6(2-4-7)15(16)17/h1-5H
InChIKeyOXLVIMHPIBZZKY-UHFFFAOYSA-N
XLogP3.86
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43259357
2-Nitro-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]aniline
CID 163424951
4-(4-Nitrophenoxy)-1,3-thiazol-2-amine
CID 15268963
3-[2-(Difluoromethoxy)-5-nitrophenyl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 4419284
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 6105299
2-[(4-Fluorophenoxy)methyl]-4-[(4-nitrophenoxy)methyl]-1,3-thiazole
CID 46619187
4-[(2-Fluoro-4-nitrophenoxy)methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 52618913
4-[(2-Fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 54915125
2-(1-Ethoxyethyl)-4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazole
CID 60334925
4-[(2-Fluoro-4-nitrophenoxy)methyl]-2-methyl-1,3-thiazole
CID 60451878
4-[(3-Fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-amine
CID 61678250
2-Fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 61678611

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole (CID 133381575) is 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole is O=[N+]([O-])c1ccc(Oc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OXLVIMHPIBZZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3S/c11-10(12,13)8-5-19-9(14-8)18-7-3-1-6(2-4-7)15(16)17/h1-5H.
What are the key properties of 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 290.22 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133381575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).