2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one

C12H20N2OS — CID 44612794

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CSC1C1=CCCN(C)C1
InChIInChI=1S/C12H20N2OS/c1-9(2)14-11(15)8-16-12(14)10-5-4-6-13(3)7-10/h5,9,12H,4,6-8H2,1-3H3
InChIKeyLZFMBQWMZANYOC-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.56
Rot. Bonds2

About 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 44612794) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID44612794
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CSC1C1=CCCN(C)C1
InChIInChI=1S/C12H20N2OS/c1-9(2)14-11(15)8-16-12(14)10-5-4-6-13(3)7-10/h5,9,12H,4,6-8H2,1-3H3
InChIKeyLZFMBQWMZANYOC-UHFFFAOYSA-N
XLogP1.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Hexyl-2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-thiazolidin-4-one
CID 44612792
3-Butyl-2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)thiazolidin-4-one
CID 44612793
3-Ethyl-2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-thiazolidin-4-one
CID 44614705

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one (CID 44612794) is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one is CC(C)N1C(=O)CSC1C1=CCCN(C)C1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is LZFMBQWMZANYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)14-11(15)8-16-12(14)10-5-4-6-13(3)7-10/h5,9,12H,4,6-8H2,1-3H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one?
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 240.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 44612794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).