4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole

C17H14N2O4S — CID 8946764

IUPAC4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccc([N+](=O)[O-])cc1OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O4S/c1-22-15-8-7-14(19(20)21)9-16(15)23-10-13-11-24-17(18-13)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeyYTSRGHMJJUGVNC-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.31
Rot. Bonds6

About 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole

4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole (PubChem CID 8946764) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
PubChem CID8946764
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccc([N+](=O)[O-])cc1OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O4S/c1-22-15-8-7-14(19(20)21)9-16(15)23-10-13-11-24-17(18-13)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeyYTSRGHMJJUGVNC-UHFFFAOYSA-N
XLogP4.31
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.31
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

2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-nitrobenzaldehyde
CID 38926198
4-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-2-phenyl-1,3-thiazole
CID 5006694
2-(3,4-dimethoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648413
2-(2,3-dimethoxyphenyl)-4-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazole
CID 52618910
4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
CID 107511770
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
2-(2,3-dimethoxyphenyl)-4-[[4-nitro-2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 60586449
(2-phenyl-1,3-thiazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666399
2-(methoxymethyl)-4-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline
CID 133331294
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208
6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 79234208
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
CID 7550705

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole (CID 8946764) is 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole is COc1ccc([N+](=O)[O-])cc1OCc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole?
The InChIKey is YTSRGHMJJUGVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-22-15-8-7-14(19(20)21)9-16(15)23-10-13-11-24-17(18-13)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3.
What are the key properties of 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole?
4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole has a molecular weight of 342.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 8946764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).