2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide

C15H18FN3O2S — CID 17424688

IUPAC2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)C1=NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1
InChIInChI=1S/C15H18FN3O2S/c1-3-19(4-2)15-18-14(21)12(22-15)9-13(20)17-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyFWRJJVNAEJVJJM-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.49
Rot. Bonds5

About 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide

2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 17424688) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
PubChem CID17424688
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)C1=NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1
InChIInChI=1S/C15H18FN3O2S/c1-3-19(4-2)15-18-14(21)12(22-15)9-13(20)17-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyFWRJJVNAEJVJJM-UHFFFAOYSA-N
XLogP2.49
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-olate
CID 23696711
3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[4-(diethylamino)phenyl]benzamide
CID 27229194
N-(2-chlorophenyl)-2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 17420291
N-(4-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725453
2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40879967
3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 26001279
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 3936820
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 4792172
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 45354424
3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 36780117
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide (CID 17424688) is 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide is CCN(CC)C1=NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1.
What is the InChIKey of 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is FWRJJVNAEJVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-3-19(4-2)15-18-14(21)12(22-15)9-13(20)17-11-7-5-10(16)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 323.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17424688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).