N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C14H14FN3O3S — CID 86920042

IUPACN-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(=O)Nc1cc(NC(=O)Cn2c(C)csc2=O)ccc1F
InChIInChI=1S/C14H14FN3O3S/c1-8-7-22-14(21)18(8)6-13(20)17-10-3-4-11(15)12(5-10)16-9(2)19/h3-5,7H,6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWGEJSIPQNDXULS-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.95
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 86920042) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID86920042
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(=O)Nc1cc(NC(=O)Cn2c(C)csc2=O)ccc1F
InChIInChI=1S/C14H14FN3O3S/c1-8-7-22-14(21)18(8)6-13(20)17-10-3-4-11(15)12(5-10)16-9(2)19/h3-5,7H,6H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWGEJSIPQNDXULS-UHFFFAOYSA-N
XLogP1.95
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-3-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27667264
N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 9192131
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832
4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43358586
N-(3,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688906
N-ethyl-4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 87005139
N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
CID 60928545
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 86917550
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287042
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 86920042) is N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CC(=O)Nc1cc(NC(=O)Cn2c(C)csc2=O)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is WGEJSIPQNDXULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-8-7-22-14(21)18(8)6-13(20)17-10-3-4-11(15)12(5-10)16-9(2)19/h3-5,7H,6H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 86920042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).