4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide

C23H21N3O2S — CID 1142986

IUPAC4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O2S/c27-21-16-29-23(26(21)15-18-4-2-1-3-5-18)20-8-6-19(7-9-20)22(28)25-14-17-10-12-24-13-11-17/h1-13,23H,14-16H2,(H,25,28)/t23-/m0/s1
InChIKeyYCXKFECJGZIZPJ-QHCPKHFHSA-N
MW403.51 g/mol
LogP3.79
Rot. Bonds6

About 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 1142986) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID1142986
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O2S/c27-21-16-29-23(26(21)15-18-4-2-1-3-5-18)20-8-6-19(7-9-20)22(28)25-14-17-10-12-24-13-11-17/h1-13,23H,14-16H2,(H,25,28)/t23-/m0/s1
InChIKeyYCXKFECJGZIZPJ-QHCPKHFHSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 5008223
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92681190
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94019723
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 133203275
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentylbenzamide
CID 40560076
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1071254

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide (CID 1142986) is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is YCXKFECJGZIZPJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-21-16-29-23(26(21)15-18-4-2-1-3-5-18)20-8-6-19(7-9-20)22(28)25-14-17-10-12-24-13-11-17/h1-13,23H,14-16H2,(H,25,28)/t23-/m0/s1.
What are the key properties of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide?
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 403.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 1142986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).