3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one

C16H16N2OS — CID 5159809

IUPAC3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccccn2)cc1C
InChIInChI=1S/C16H16N2OS/c1-11-6-7-13(9-12(11)2)18-15(19)10-20-16(18)14-5-3-4-8-17-14/h3-9,16H,10H2,1-2H3
InChIKeyXGEOKKHMYBJVIS-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.48
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one

3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 5159809) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID5159809
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccccn2)cc1C
InChIInChI=1S/C16H16N2OS/c1-11-6-7-13(9-12(11)2)18-15(19)10-20-16(18)14-5-3-4-8-17-14/h3-9,16H,10H2,1-2H3
InChIKeyXGEOKKHMYBJVIS-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one (CID 5159809) is 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2ccccn2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is XGEOKKHMYBJVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-6-7-13(9-12(11)2)18-15(19)10-20-16(18)14-5-3-4-8-17-14/h3-9,16H,10H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one?
3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5159809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).