3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one

C11H14N2OS — CID 16728781

IUPAC3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N2C(=O)CSC2C)c1
InChIInChI=1S/C11H14N2OS/c1-7-4-8(2)12-10(5-7)13-9(3)15-6-11(13)14/h4-5,9H,6H2,1-3H3
InChIKeyLAVYEQLHKOQYNC-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.12
Rot. Bonds1

About 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one

3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one (PubChem CID 16728781) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one
PubChem CID16728781
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N2C(=O)CSC2C)c1
InChIInChI=1S/C11H14N2OS/c1-7-4-8(2)12-10(5-7)13-9(3)15-6-11(13)14/h4-5,9H,6H2,1-3H3
InChIKeyLAVYEQLHKOQYNC-UHFFFAOYSA-N
XLogP2.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one (CID 16728781) is 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one is Cc1cc(C)nc(N2C(=O)CSC2C)c1.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is LAVYEQLHKOQYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7-4-8(2)12-10(5-7)13-9(3)15-6-11(13)14/h4-5,9H,6H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one?
3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 222.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridinyl)-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).