2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C18H14FN3O5S — CID 8873298

IUPAC2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])n2)cc1
InChIInChI=1S/C18H14FN3O5S/c1-26-13-5-2-11(3-6-13)14-10-28-18(20-14)21-17(23)9-27-16-8-12(19)4-7-15(16)22(24)25/h2-8,10H,9H2,1H3,(H,20,21,23)
InChIKeyAAAARVRWLZPHBA-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.88
Rot. Bonds7

About 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8873298) has the molecular formula C18H14FN3O5S and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID8873298
Molecular FormulaC18H14FN3O5S
Molecular Weight403.39 g/mol
Exact Mass403.06
IUPAC Name2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])n2)cc1
InChIInChI=1S/C18H14FN3O5S/c1-26-13-5-2-11(3-6-13)14-10-28-18(20-14)21-17(23)9-27-16-8-12(19)4-7-15(16)22(24)25/h2-8,10H,9H2,1H3,(H,20,21,23)
InChIKeyAAAARVRWLZPHBA-UHFFFAOYSA-N
XLogP3.88
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
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

methyl 3-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethoxy]-4-nitrobenzoate
CID 55753653
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 9492640
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 4848684
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
2-(2-methyl-3-nitrophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 60518149
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35964926
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-nitrophenoxy)butanamide
CID 84560881
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013
2-(2,4-difluorophenyl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8837208
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 8910755
5-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 47846073
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406670

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 8873298) is 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])n2)cc1.
What is the InChIKey of 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AAAARVRWLZPHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5S/c1-26-13-5-2-11(3-6-13)14-10-28-18(20-14)21-17(23)9-27-16-8-12(19)4-7-15(16)22(24)25/h2-8,10H,9H2,1H3,(H,20,21,23).
What are the key properties of 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 403.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8873298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).