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

C16H22FN3O2S — CID 24711912

IUPACN-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCN(C)CCNC(=O)CCN1C(=O)CSC1c1ccccc1F
InChIInChI=1S/C16H22FN3O2S/c1-19(2)10-8-18-14(21)7-9-20-15(22)11-23-16(20)12-5-3-4-6-13(12)17/h3-6,16H,7-11H2,1-2H3,(H,18,21)
InChIKeyUDIIFRZXSHHLKN-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.47
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide (PubChem CID 24711912) has the molecular formula C16H22FN3O2S and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
PubChem CID24711912
Molecular FormulaC16H22FN3O2S
Molecular Weight339.44 g/mol
Exact Mass339.14
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCN(C)CCNC(=O)CCN1C(=O)CSC1c1ccccc1F
InChIInChI=1S/C16H22FN3O2S/c1-19(2)10-8-18-14(21)7-9-20-15(22)11-23-16(20)12-5-3-4-6-13(12)17/h3-6,16H,7-11H2,1-2H3,(H,18,21)
InChIKeyUDIIFRZXSHHLKN-UHFFFAOYSA-N
XLogP1.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 24711902
N-[2-(dimethylamino)ethyl]-2-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814850
2-(2-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 4097761
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 22332064
3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 42814699
N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide
CID 42814526
N-[2-(dimethylamino)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide;hydrochloride
CID 126460177
N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 56730452
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033
2-(2,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 3792861
2-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide
CID 24712216
3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide (CID 24711912) is N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide is CN(C)CCNC(=O)CCN1C(=O)CSC1c1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The InChIKey is UDIIFRZXSHHLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2S/c1-19(2)10-8-18-14(21)7-9-20-15(22)11-23-16(20)12-5-3-4-6-13(12)17/h3-6,16H,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide is sourced from PubChem (CID 24711912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).