2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

C16H16N2OS2 — CID 5180035

IUPAC2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2Cc2ccccn2)cc1
InChIInChI=1S/C16H16N2OS2/c1-20-14-7-5-12(6-8-14)16-18(15(19)11-21-16)10-13-4-2-3-9-17-13/h2-9,16H,10-11H2,1H3
InChIKeyFBKLERJNHVQZRP-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.58
Rot. Bonds4

About 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one

2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 5180035) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID5180035
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2Cc2ccccn2)cc1
InChIInChI=1S/C16H16N2OS2/c1-20-14-7-5-12(6-8-14)16-18(15(19)11-21-16)10-13-4-2-3-9-17-13/h2-9,16H,10-11H2,1H3
InChIKeyFBKLERJNHVQZRP-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene
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3-[4-(Tert-butyl)phenyl]-2-(3-pyridyl)-1,3-thiazolan-4-one
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ST4014630
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3-(2-Phenylethyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 2047913
2-(2-Pyridyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolan-4-one
CID 2732594
3-(3,5-Dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4248964
N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one (CID 5180035) is 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2Cc2ccccn2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is FBKLERJNHVQZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-20-14-7-5-12(6-8-14)16-18(15(19)11-21-16)10-13-4-2-3-9-17-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one?
2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 316.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5180035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).