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

C15H14N2OS — CID 5010546

IUPAC3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2cccnc2)c1
InChIInChI=1S/C15H14N2OS/c1-11-4-2-6-13(8-11)17-14(18)10-19-15(17)12-5-3-7-16-9-12/h2-9,15H,10H2,1H3
InChIKeyDULAKAQFLDCZBO-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.17
Rot. Bonds2

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

3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 5010546) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID5010546
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2cccnc2)c1
InChIInChI=1S/C15H14N2OS/c1-11-4-2-6-13(8-11)17-14(18)10-19-15(17)12-5-3-7-16-9-12/h2-9,15H,10H2,1H3
InChIKeyDULAKAQFLDCZBO-UHFFFAOYSA-N
XLogP3.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 5010546) is 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2c2cccnc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is DULAKAQFLDCZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-4-2-6-13(8-11)17-14(18)10-19-15(17)12-5-3-7-16-9-12/h2-9,15H,10H2,1H3.
What are the key properties of 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5010546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).