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

C12H9FN4O4S — CID 167361694

IUPAC2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1nc(F)c([N+](=O)[O-])s1
InChIInChI=1S/C12H9FN4O4S/c1-6(18)14-8-5-3-2-4-7(8)10(19)16-12-15-9(13)11(22-12)17(20)21/h2-5H,1H3,(H,14,18)(H,15,16,19)
InChIKeyZZQLPCZIFNCAJV-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.40
Rot. Bonds4

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

2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 167361694) has the molecular formula C12H9FN4O4S and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID167361694
Molecular FormulaC12H9FN4O4S
Molecular Weight324.29 g/mol
Exact Mass324.03
IUPAC Name2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1nc(F)c([N+](=O)[O-])s1
InChIInChI=1S/C12H9FN4O4S/c1-6(18)14-8-5-3-2-4-7(8)10(19)16-12-15-9(13)11(22-12)17(20)21/h2-5H,1H3,(H,14,18)(H,15,16,19)
InChIKeyZZQLPCZIFNCAJV-UHFFFAOYSA-N
XLogP2.40
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide (CID 167361694) is 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide is CC(=O)Nc1ccccc1C(=O)Nc1nc(F)c([N+](=O)[O-])s1.
What is the InChIKey of 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZZQLPCZIFNCAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O4S/c1-6(18)14-8-5-3-2-4-7(8)10(19)16-12-15-9(13)11(22-12)17(20)21/h2-5H,1H3,(H,14,18)(H,15,16,19).
What are the key properties of 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide?
2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 324.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-fluoro-5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 167361694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).