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

C11H18N2OS — CID 44614705

IUPAC3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1C1=CCCN(C)C1
InChIInChI=1S/C11H18N2OS/c1-3-13-10(14)8-15-11(13)9-5-4-6-12(2)7-9/h5,11H,3-4,6-8H2,1-2H3
InChIKeyJSXYTYAHKQRPIG-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.17
Rot. Bonds2

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

3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one (PubChem CID 44614705) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
PubChem CID44614705
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1C1=CCCN(C)C1
InChIInChI=1S/C11H18N2OS/c1-3-13-10(14)8-15-11(13)9-5-4-6-12(2)7-9/h5,11H,3-4,6-8H2,1-2H3
InChIKeyJSXYTYAHKQRPIG-UHFFFAOYSA-N
XLogP1.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one (CID 44614705) is 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one is CCN1C(=O)CSC1C1=CCCN(C)C1.
What is the InChIKey of 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is JSXYTYAHKQRPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-13-10(14)8-15-11(13)9-5-4-6-12(2)7-9/h5,11H,3-4,6-8H2,1-2H3.
What are the key properties of 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one?
3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 226.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44614705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).