2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole

C16H13N3O4S — CID 8648428

IUPAC2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(COc3cccnc3[N+](=O)[O-])cs2)cc1
InChIInChI=1S/C16H13N3O4S/c1-22-13-6-4-11(5-7-13)16-18-12(10-24-16)9-23-14-3-2-8-17-15(14)19(20)21/h2-8,10H,9H2,1H3
InChIKeyFUBFMEOHZQVFAL-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole

2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole (PubChem CID 8648428) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
PubChem CID8648428
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(COc3cccnc3[N+](=O)[O-])cs2)cc1
InChIInChI=1S/C16H13N3O4S/c1-22-13-6-4-11(5-7-13)16-18-12(10-24-16)9-23-14-3-2-8-17-15(14)19(20)21/h2-8,10H,9H2,1H3
InChIKeyFUBFMEOHZQVFAL-UHFFFAOYSA-N
XLogP3.70
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(3,4-dimethoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648413
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
4-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-2-phenyl-1,3-thiazole
CID 5006694
4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660
4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
CID 8946764
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
CID 107511770
3-methoxy-2-nitropyridine
CID 556063
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-3-nitrobenzoate
CID 7795094
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-5-nitrobenzaldehyde
CID 38926198
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide
CID 10051418

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole (CID 8648428) is 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole is COc1ccc(-c2nc(COc3cccnc3[N+](=O)[O-])cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The InChIKey is FUBFMEOHZQVFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-22-13-6-4-11(5-7-13)16-18-12(10-24-16)9-23-14-3-2-8-17-15(14)19(20)21/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole?
2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole has a molecular weight of 343.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 8648428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).