N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide

C13H11FN2O2S — CID 959101

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccccc2F)nc1C
InChIInChI=1S/C13H11FN2O2S/c1-7-11(8(2)17)19-13(15-7)16-12(18)9-5-3-4-6-10(9)14/h3-6H,1-2H3,(H,15,16,18)
InChIKeyJINCZECWGNQUAA-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.05
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide (PubChem CID 959101) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
PubChem CID959101
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccccc2F)nc1C
InChIInChI=1S/C13H11FN2O2S/c1-7-11(8(2)17)19-13(15-7)16-12(18)9-5-3-4-6-10(9)14/h3-6H,1-2H3,(H,15,16,18)
InChIKeyJINCZECWGNQUAA-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide (CID 959101) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide is CC(=O)c1sc(NC(=O)c2ccccc2F)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The InChIKey is JINCZECWGNQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-7-11(8(2)17)19-13(15-7)16-12(18)9-5-3-4-6-10(9)14/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide has a molecular weight of 278.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 959101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).