N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C16H23N3O2S — CID 24711902

IUPACN-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccccc1C1SCC(=O)N1CC(=O)NCCN(C)C
InChIInChI=1S/C16H23N3O2S/c1-12-6-4-5-7-13(12)16-19(15(21)11-22-16)10-14(20)17-8-9-18(2)3/h4-7,16H,8-11H2,1-3H3,(H,17,20)
InChIKeyAQYGBXYDEQPITR-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.25
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 24711902) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID24711902
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1ccccc1C1SCC(=O)N1CC(=O)NCCN(C)C
InChIInChI=1S/C16H23N3O2S/c1-12-6-4-5-7-13(12)16-19(15(21)11-22-16)10-14(20)17-8-9-18(2)3/h4-7,16H,8-11H2,1-3H3,(H,17,20)
InChIKeyAQYGBXYDEQPITR-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 24711912
N-[2-(dimethylamino)ethyl]-2-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814850
N-(furan-2-ylmethyl)-2-[(2R)-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 93084342
3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 42814699
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 23908643
N-ethyl-2-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42815205
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42814418
N-octadecyl-2-[4-oxo-2-(4-phenylphenyl)-1,3-thiazolidin-3-yl]acetamide
CID 11215178
3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide
CID 42815602

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 24711902) is N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is Cc1ccccc1C1SCC(=O)N1CC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is AQYGBXYDEQPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12-6-4-5-7-13(12)16-19(15(21)11-22-16)10-14(20)17-8-9-18(2)3/h4-7,16H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 24711902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).