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

C19H19FN2O2S — CID 42814453

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1cccc(C2SCC(=O)N2CC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O2S/c1-13-3-2-4-15(9-13)19-22(18(24)12-25-19)11-17(23)21-10-14-5-7-16(20)8-6-14/h2-9,19H,10-12H2,1H3,(H,21,23)
InChIKeyPFYKPMXLTHFONK-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.02
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 42814453) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID42814453
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1cccc(C2SCC(=O)N2CC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O2S/c1-13-3-2-4-15(9-13)19-22(18(24)12-25-19)11-17(23)21-10-14-5-7-16(20)8-6-14/h2-9,19H,10-12H2,1H3,(H,21,23)
InChIKeyPFYKPMXLTHFONK-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814850
2-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 42814845
2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 42814442
N-(3,5-difluorophenyl)-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11302478
(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 93072504
2-[2-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide
CID 24712216
N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
CID 46044295
2-[3-tert-butyl-4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42812562
methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 23908643
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
2-[(4R)-3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98426427
2-[(4S)-3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98426428

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 42814453) is N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is Cc1cccc(C2SCC(=O)N2CC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is PFYKPMXLTHFONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-13-3-2-4-15(9-13)19-22(18(24)12-25-19)11-17(23)21-10-14-5-7-16(20)8-6-14/h2-9,19H,10-12H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 42814453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).