3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide

C15H19ClN2O2S — CID 42814398

IUPAC3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide
SMILESCC1SC(c2ccccc2Cl)N(CCC(=O)N(C)C)C1=O
InChIInChI=1S/C15H19ClN2O2S/c1-10-14(20)18(9-8-13(19)17(2)3)15(21-10)11-6-4-5-7-12(11)16/h4-7,10,15H,8-9H2,1-3H3
InChIKeyQPEWADSIVFLTKX-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.78
Rot. Bonds4

About 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide

3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide (PubChem CID 42814398) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide
PubChem CID42814398
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide
SMILESCC1SC(c2ccccc2Cl)N(CCC(=O)N(C)C)C1=O
InChIInChI=1S/C15H19ClN2O2S/c1-10-14(20)18(9-8-13(19)17(2)3)15(21-10)11-6-4-5-7-12(11)16/h4-7,10,15H,8-9H2,1-3H3
InChIKeyQPEWADSIVFLTKX-UHFFFAOYSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide (CID 42814398) is 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide is CC1SC(c2ccccc2Cl)N(CCC(=O)N(C)C)C1=O.
What is the InChIKey of 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is QPEWADSIVFLTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-10-14(20)18(9-8-13(19)17(2)3)15(21-10)11-6-4-5-7-12(11)16/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide?
3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 326.85 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 42814398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).