1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C11H14N2OS — CID 18682294

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=CCC1c1ncc(C)s1
InChIInChI=1S/C11H14N2OS/c1-8-7-12-11(15-8)10-5-3-4-6-13(10)9(2)14/h3-4,7,10H,5-6H2,1-2H3
InChIKeyBQESBRNIUZVOKG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.30
Rot. Bonds1

About 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 18682294) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID18682294
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=CCC1c1ncc(C)s1
InChIInChI=1S/C11H14N2OS/c1-8-7-12-11(15-8)10-5-3-4-6-13(10)9(2)14/h3-4,7,10H,5-6H2,1-2H3
InChIKeyBQESBRNIUZVOKG-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 18682294) is 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=CCC1c1ncc(C)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is BQESBRNIUZVOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-7-12-11(15-8)10-5-3-4-6-13(10)9(2)14/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 222.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 18682294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).