4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide

C10H6FN3O3S — CID 2859566

IUPAC4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H6FN3O3S/c11-6-1-2-7(8(5-6)14(16)17)9(15)13-10-12-3-4-18-10/h1-5H,(H,12,13,15)
InChIKeyYKWPOOORTGNGQZ-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.44
Rot. Bonds3

About 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide

4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2859566) has the molecular formula C10H6FN3O3S and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2859566
Molecular FormulaC10H6FN3O3S
Molecular Weight267.24 g/mol
Exact Mass267.01
IUPAC Name4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H6FN3O3S/c11-6-1-2-7(8(5-6)14(16)17)9(15)13-10-12-3-4-18-10/h1-5H,(H,12,13,15)
InChIKeyYKWPOOORTGNGQZ-UHFFFAOYSA-N
XLogP2.44
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.44
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

2,5-difluoro-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 107121654
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 115736037
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898
4-fluoro-N-(6-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 104820949
N-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
CID 90933824
N-(5-chloropyrazin-2-yl)-4-fluoro-2-nitrobenzamide
CID 107595729
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
CID 60815649
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide (CID 2859566) is 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YKWPOOORTGNGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3S/c11-6-1-2-7(8(5-6)14(16)17)9(15)13-10-12-3-4-18-10/h1-5H,(H,12,13,15).
What are the key properties of 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide?
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 267.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2859566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).