4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole

C14H9N3O3S — CID 175203508

IUPAC4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2ccc(-c3cscn3)cc2)nc1
InChIInChI=1S/C14H9N3O3S/c18-17(19)11-3-6-14(15-7-11)20-12-4-1-10(2-5-12)13-8-21-9-16-13/h1-9H
InChIKeyBANNVUVKFCKCBK-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.91
Rot. Bonds4

About 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole

4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole (PubChem CID 175203508) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole
PubChem CID175203508
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC Name4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2ccc(-c3cscn3)cc2)nc1
InChIInChI=1S/C14H9N3O3S/c18-17(19)11-3-6-14(15-7-11)20-12-4-1-10(2-5-12)13-8-21-9-16-13/h1-9H
InChIKeyBANNVUVKFCKCBK-UHFFFAOYSA-N
XLogP3.91
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.91
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

5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
2-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]-5-nitropyridine
CID 132567219
5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3984250
2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
CID 67576981
5-nitro-2-pyridin-1-ium-3-yloxypyridine
CID 5105142
4-nitro-N-[(Z)-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 7329141
2-[4-(1-bromoethyl)phenoxy]-5-nitropyridine;2-(4-ethylphenoxy)-5-nitropyridine
CID 161213807
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride
CID 44887432
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole?
The IUPAC name of 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole (CID 175203508) is 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole is O=[N+]([O-])c1ccc(Oc2ccc(-c3cscn3)cc2)nc1.
What is the InChIKey of 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole?
The InChIKey is BANNVUVKFCKCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S/c18-17(19)11-3-6-14(15-7-11)20-12-4-1-10(2-5-12)13-8-21-9-16-13/h1-9H.
What are the key properties of 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole?
4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole has a molecular weight of 299.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-1,3-thiazole is sourced from PubChem (CID 175203508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).