N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide

C12H10FN3O2S — CID 64556746

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(F)cc2N)n1
InChIInChI=1S/C12H10FN3O2S/c1-6(17)10-5-19-12(15-10)16-11(18)8-3-2-7(13)4-9(8)14/h2-5H,14H2,1H3,(H,15,16,18)
InChIKeyYLDRZSUVYZGLDG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.32
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide (PubChem CID 64556746) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
PubChem CID64556746
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(F)cc2N)n1
InChIInChI=1S/C12H10FN3O2S/c1-6(17)10-5-19-12(15-10)16-11(18)8-3-2-7(13)4-9(8)14/h2-5H,14H2,1H3,(H,15,16,18)
InChIKeyYLDRZSUVYZGLDG-UHFFFAOYSA-N
XLogP2.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 112723705
N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103893084
2-chloro-4-fluoro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046628
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
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2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
CID 82832519
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
2-amino-4-fluoro-N-thiophen-3-ylbenzamide
CID 66354589
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide (CID 64556746) is N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide is CC(=O)c1csc(NC(=O)c2ccc(F)cc2N)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide?
The InChIKey is YLDRZSUVYZGLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c1-6(17)10-5-19-12(15-10)16-11(18)8-3-2-7(13)4-9(8)14/h2-5H,14H2,1H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide has a molecular weight of 279.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide is sourced from PubChem (CID 64556746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).