4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C10H6FN3O3S — CID 4997465

IUPAC4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1
InChIInChI=1S/C10H6FN3O3S/c11-7-3-1-6(2-4-7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15)
InChIKeyVZPQIICQNRTBPR-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.44
Rot. Bonds3

About 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 4997465) has the molecular formula C10H6FN3O3S and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID4997465
Molecular FormulaC10H6FN3O3S
Molecular Weight267.24 g/mol
Exact Mass267.01
IUPAC Name4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1
InChIInChI=1S/C10H6FN3O3S/c11-7-3-1-6(2-4-7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15)
InChIKeyVZPQIICQNRTBPR-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

N-2-Thiazolylbenzamide
CID 569547
N-(5-nitro-2-thiazolyl)benzamide
CID 47359
4-Nitro-N-(2-thiazolyl)benzamide
CID 230363
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
2-Amino-1,3,4-thiadiazole, 10
CID 42618083
Benzamide, 3,4-dichloro-N-(5-nitro-2-thiazolyl)-
CID 112302
4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 2853283
2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113441
2-nitro-N-1,3-thiazol-2-ylbenzamide
CID 670500
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2904045
2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2939776

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 4997465) is 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is VZPQIICQNRTBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3S/c11-7-3-1-6(2-4-7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15).
What are the key properties of 4-fluoro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
4-fluoro-N-(5-nitro-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-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4997465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).