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

C9H12N2S — CID 3087744

IUPAC5-methyl-2-pyridin-3-yl-1,3-thiazolidine
SMILESCC1CNC(c2cccnc2)S1
InChIInChI=1S/C9H12N2S/c1-7-5-11-9(12-7)8-3-2-4-10-6-8/h2-4,6-7,9,11H,5H2,1H3
InChIKeyMVBRBSRJVFJQBD-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.81
Rot. Bonds1

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

5-methyl-2-pyridin-3-yl-1,3-thiazolidine (PubChem CID 3087744) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-methyl-2-pyridin-3-yl-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-pyridin-3-yl-1,3-thiazolidine
PubChem CID3087744
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-methyl-2-pyridin-3-yl-1,3-thiazolidine
SMILESCC1CNC(c2cccnc2)S1
InChIInChI=1S/C9H12N2S/c1-7-5-11-9(12-7)8-3-2-4-10-6-8/h2-4,6-7,9,11H,5H2,1H3
InChIKeyMVBRBSRJVFJQBD-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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Related Compounds

Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
Rivanicline
CID 5310967
3-Pyridinemethanamine
CID 31018
Thionicotinamide
CID 737155
(R)-Nornicotine
CID 93047
3-(Methylaminomethyl)pyridine
CID 88393
(S)-nicotinium(1+)
CID 6919000
Pyridine, 3-((methylthio)methyl)-
CID 3053474
4-(4-pyridyl)-3H-thiazole-2-thione
CID 22392870
Propanenitrile, 3-((3-pyridinylmethyl)amino)-
CID 118510
Methyl[3-(pyridin-3-yl)prop-2-yn-1-yl]amine
CID 10510985

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-3-yl-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-pyridin-3-yl-1,3-thiazolidine (CID 3087744) is 5-methyl-2-pyridin-3-yl-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-pyridin-3-yl-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-pyridin-3-yl-1,3-thiazolidine is CC1CNC(c2cccnc2)S1.
What is the InChIKey of 5-methyl-2-pyridin-3-yl-1,3-thiazolidine?
The InChIKey is MVBRBSRJVFJQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-7-5-11-9(12-7)8-3-2-4-10-6-8/h2-4,6-7,9,11H,5H2,1H3.
What are the key properties of 5-methyl-2-pyridin-3-yl-1,3-thiazolidine?
5-methyl-2-pyridin-3-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-3-yl-1,3-thiazolidine is sourced from PubChem (CID 3087744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).