5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide

C11H8FN3O3S — CID 51889946

IUPAC5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
SMILESCc1cnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C11H8FN3O3S/c1-6-5-13-11(19-6)14-10(16)8-4-7(12)2-3-9(8)15(17)18/h2-5H,1H3,(H,13,14,16)
InChIKeyXNRUYHUOOJBJTB-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.75
Rot. Bonds3

About 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide

5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide (PubChem CID 51889946) has the molecular formula C11H8FN3O3S and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
PubChem CID51889946
Molecular FormulaC11H8FN3O3S
Molecular Weight281.27 g/mol
Exact Mass281.03
IUPAC Name5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
SMILESCc1cnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1
InChIInChI=1S/C11H8FN3O3S/c1-6-5-13-11(19-6)14-10(16)8-4-7(12)2-3-9(8)15(17)18/h2-5H,1H3,(H,13,14,16)
InChIKeyXNRUYHUOOJBJTB-UHFFFAOYSA-N
XLogP2.75
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-fluoro-2-nitrobenzamide
CID 61474759
5-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-nitrobenzamide
CID 115681363
4-fluoro-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 103829649
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
4-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 8919383
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60815511
N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
CID 107595834
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-2-nitrobenzamide
CID 60877333

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The IUPAC name of 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide (CID 51889946) is 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The canonical SMILES for 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide is Cc1cnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1.
What is the InChIKey of 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The InChIKey is XNRUYHUOOJBJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3S/c1-6-5-13-11(19-6)14-10(16)8-4-7(12)2-3-9(8)15(17)18/h2-5H,1H3,(H,13,14,16).
What are the key properties of 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide has a molecular weight of 281.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 51889946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).