5-methyl-2-pyridin-2-yl-1,3-thiazolidine

C9H12N2S — CID 3087743

IUPAC5-methyl-2-pyridin-2-yl-1,3-thiazolidine
SMILESCC1CNC(c2ccccn2)S1
InChIInChI=1S/C9H12N2S/c1-7-6-11-9(12-7)8-4-2-3-5-10-8/h2-5,7,9,11H,6H2,1H3
InChIKeyVRBVLZREFYCMMG-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.81
Rot. Bonds1

About 5-methyl-2-pyridin-2-yl-1,3-thiazolidine

5-methyl-2-pyridin-2-yl-1,3-thiazolidine (PubChem CID 3087743) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-methyl-2-pyridin-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-pyridin-2-yl-1,3-thiazolidine
PubChem CID3087743
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-methyl-2-pyridin-2-yl-1,3-thiazolidine
SMILESCC1CNC(c2ccccn2)S1
InChIInChI=1S/C9H12N2S/c1-7-6-11-9(12-7)8-4-2-3-5-10-8/h2-5,7,9,11H,6H2,1H3
InChIKeyVRBVLZREFYCMMG-UHFFFAOYSA-N
XLogP1.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-2-yl-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-pyridin-2-yl-1,3-thiazolidine (CID 3087743) is 5-methyl-2-pyridin-2-yl-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-pyridin-2-yl-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-pyridin-2-yl-1,3-thiazolidine is CC1CNC(c2ccccn2)S1.
What is the InChIKey of 5-methyl-2-pyridin-2-yl-1,3-thiazolidine?
The InChIKey is VRBVLZREFYCMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-7-6-11-9(12-7)8-4-2-3-5-10-8/h2-5,7,9,11H,6H2,1H3.
What are the key properties of 5-methyl-2-pyridin-2-yl-1,3-thiazolidine?
5-methyl-2-pyridin-2-yl-1,3-thiazolidine has a molecular weight of 180.28 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-2-yl-1,3-thiazolidine is sourced from PubChem (CID 3087743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).