3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

C16H16N2OS — CID 2737851

IUPAC3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2cccnc2)cc1
InChIInChI=1S/C16H16N2OS/c1-12-4-6-13(7-5-12)10-18-15(19)11-20-16(18)14-3-2-8-17-9-14/h2-9,16H,10-11H2,1H3
InChIKeyPRRNFGBWIWPXRX-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.16
Rot. Bonds3

About 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2737851) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2737851
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2cccnc2)cc1
InChIInChI=1S/C16H16N2OS/c1-12-4-6-13(7-5-12)10-18-15(19)11-20-16(18)14-3-2-8-17-9-14/h2-9,16H,10-11H2,1H3
InChIKeyPRRNFGBWIWPXRX-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2737851) is 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is Cc1ccc(CN2C(=O)CSC2c2cccnc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is PRRNFGBWIWPXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-4-6-13(7-5-12)10-18-15(19)11-20-16(18)14-3-2-8-17-9-14/h2-9,16H,10-11H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2737851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).