2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole

C17H13FN2O4S — CID 8537624

IUPAC2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
SMILESCOc1ccc(OCc2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H13FN2O4S/c1-23-14-6-7-16(15(8-14)20(21)22)24-9-13-10-25-17(19-13)11-2-4-12(18)5-3-11/h2-8,10H,9H2,1H3
InChIKeyYZJOTJHJKDJZDV-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole

2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole (PubChem CID 8537624) has the molecular formula C17H13FN2O4S and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
PubChem CID8537624
Molecular FormulaC17H13FN2O4S
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Name2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
SMILESCOc1ccc(OCc2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H13FN2O4S/c1-23-14-6-7-16(15(8-14)20(21)22)24-9-13-10-25-17(19-13)11-2-4-12(18)5-3-11/h2-8,10H,9H2,1H3
InChIKeyYZJOTJHJKDJZDV-UHFFFAOYSA-N
XLogP4.45
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.45
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'}

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Related Compounds

4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660
2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648428
2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole
CID 16960575
(4-methoxy-2-nitrophenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55340489
2-(3,4-dimethoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648413
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
CID 8946764
2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 51327833
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-nitrobenzaldehyde
CID 38926198
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-nitrophenoxy)acetate
CID 40561219
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-nitrobenzoate
CID 9390927
4-[(4-methoxy-2-nitrophenoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666676

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole (CID 8537624) is 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole is COc1ccc(OCc2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole?
The InChIKey is YZJOTJHJKDJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4S/c1-23-14-6-7-16(15(8-14)20(21)22)24-9-13-10-25-17(19-13)11-2-4-12(18)5-3-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole?
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole has a molecular weight of 360.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 8537624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).