3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide

C16H21FN2O2S — CID 24711906

IUPAC3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C(=O)C(C)SC1c1ccccc1F
InChIInChI=1S/C16H21FN2O2S/c1-10(2)18-14(20)8-9-19-15(21)11(3)22-16(19)12-6-4-5-7-13(12)17/h4-7,10-11,16H,8-9H2,1-3H3,(H,18,20)
InChIKeyJLMWPCNONCXINA-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.70
Rot. Bonds5

About 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide

3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide (PubChem CID 24711906) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide
PubChem CID24711906
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC Name3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C(=O)C(C)SC1c1ccccc1F
InChIInChI=1S/C16H21FN2O2S/c1-10(2)18-14(20)8-9-19-15(21)11(3)22-16(19)12-6-4-5-7-13(12)17/h4-7,10-11,16H,8-9H2,1-3H3,(H,18,20)
InChIKeyJLMWPCNONCXINA-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide (CID 24711906) is 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1C(=O)C(C)SC1c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide?
The InChIKey is JLMWPCNONCXINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c1-10(2)18-14(20)8-9-19-15(21)11(3)22-16(19)12-6-4-5-7-13(12)17/h4-7,10-11,16H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide?
3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 24711906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).