2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole

C10H14N2S — CID 130619317

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(N2CC=CCC2)n1
InChIInChI=1S/C10H14N2S/c1-2-9-8-13-10(11-9)12-6-4-3-5-7-12/h3-4,8H,2,5-7H2,1H3
InChIKeyQNLGECMCGWMBTM-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.47
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole

2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole (PubChem CID 130619317) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole
PubChem CID130619317
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(N2CC=CCC2)n1
InChIInChI=1S/C10H14N2S/c1-2-9-8-13-10(11-9)12-6-4-3-5-7-12/h3-4,8H,2,5-7H2,1H3
InChIKeyQNLGECMCGWMBTM-UHFFFAOYSA-N
XLogP2.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole (CID 130619317) is 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole is CCc1csc(N2CC=CCC2)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole?
The InChIKey is QNLGECMCGWMBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-9-8-13-10(11-9)12-6-4-3-5-7-12/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole?
2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole has a molecular weight of 194.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole is sourced from PubChem (CID 130619317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).