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

C13H12FN3O2S — CID 47366046

IUPAC3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ncc(C)s2)ccc1F
InChIInChI=1S/C13H12FN3O2S/c1-7-6-15-13(20-7)17-12(19)9-3-4-10(14)11(5-9)16-8(2)18/h3-6H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyYBLQVLUKIBYTOX-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.80
Rot. Bonds3

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

3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 47366046) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID47366046
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC Name3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ncc(C)s2)ccc1F
InChIInChI=1S/C13H12FN3O2S/c1-7-6-15-13(20-7)17-12(19)9-3-4-10(14)11(5-9)16-8(2)18/h3-6H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyYBLQVLUKIBYTOX-UHFFFAOYSA-N
XLogP2.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47421860
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 46485096
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454
3-[4-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76906310
4-(ethylamino)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 62165674

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 47366046) is 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide is CC(=O)Nc1cc(C(=O)Nc2ncc(C)s2)ccc1F.
What is the InChIKey of 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YBLQVLUKIBYTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c1-7-6-15-13(20-7)17-12(19)9-3-4-10(14)11(5-9)16-8(2)18/h3-6H,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 47366046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).