5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline

C13H18N2S — CID 57315189

IUPAC5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline
SMILESC=CCN1CCCC2Cc3ncsc3CC21
InChIInChI=1S/C13H18N2S/c1-2-5-15-6-3-4-10-7-11-13(8-12(10)15)16-9-14-11/h2,9-10,12H,1,3-8H2
InChIKeyDVABTJUHLPKYDL-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.51
Rot. Bonds2

About 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline

5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline (PubChem CID 57315189) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline.

Molecular Properties

Compound Name5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline
PubChem CID57315189
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline
SMILESC=CCN1CCCC2Cc3ncsc3CC21
InChIInChI=1S/C13H18N2S/c1-2-5-15-6-3-4-10-7-11-13(8-12(10)15)16-9-14-11/h2,9-10,12H,1,3-8H2
InChIKeyDVABTJUHLPKYDL-UHFFFAOYSA-N
XLogP2.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline 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 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline?
The IUPAC name of 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline (CID 57315189) is 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline.
What is the SMILES notation for 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline?
The canonical SMILES for 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline is C=CCN1CCCC2Cc3ncsc3CC21.
What is the InChIKey of 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline?
The InChIKey is DVABTJUHLPKYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-5-15-6-3-4-10-7-11-13(8-12(10)15)16-9-14-11/h2,9-10,12H,1,3-8H2.
What are the key properties of 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline?
5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline has a molecular weight of 234.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline is sourced from PubChem (CID 57315189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).