2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide

C17H16ClN3O2S — CID 42814418

IUPAC2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CSC1c1ccccc1Cl)NCc1ccccn1
InChIInChI=1S/C17H16ClN3O2S/c18-14-7-2-1-6-13(14)17-21(16(23)11-24-17)10-15(22)20-9-12-5-3-4-8-19-12/h1-8,17H,9-11H2,(H,20,22)
InChIKeyLFGQCSUWBQIEIL-UHFFFAOYSA-N
MW361.85 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 42814418) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID42814418
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CSC1c1ccccc1Cl)NCc1ccccn1
InChIInChI=1S/C17H16ClN3O2S/c18-14-7-2-1-6-13(14)17-21(16(23)11-24-17)10-15(22)20-9-12-5-3-4-8-19-12/h1-8,17H,9-11H2,(H,20,22)
InChIKeyLFGQCSUWBQIEIL-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 42815288
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
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 3831558
N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10528264
N-(furan-2-ylmethyl)-2-[(2R)-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 93084342
2-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 93143235
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 5156979
N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 24711902
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 110438421
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 42814418) is 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1C(=O)CSC1c1ccccc1Cl)NCc1ccccn1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is LFGQCSUWBQIEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c18-14-7-2-1-6-13(14)17-21(16(23)11-24-17)10-15(22)20-9-12-5-3-4-8-19-12/h1-8,17H,9-11H2,(H,20,22).
What are the key properties of 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 361.85 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 42814418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).