ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone

C17H24N2OS — CID 90847935

IUPACethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone
SMILESCC.CC(=O)N1CCS/C1=N\C1CCCc2ccccc21
InChIInChI=1S/C15H18N2OS.C2H6/c1-11(18)17-9-10-19-15(17)16-14-8-4-6-12-5-2-3-7-13(12)14;1-2/h2-3,5,7,14H,4,6,8-10H2,1H3;1-2H3/b16-15-;
InChIKeyFCLMOQVKQYSBBO-YFKNTREVSA-N
MW304.46 g/mol
LogP4.04
Rot. Bonds1

About ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone

ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 90847935) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone
PubChem CID90847935
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Nameethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone
SMILESCC.CC(=O)N1CCS/C1=N\C1CCCc2ccccc21
InChIInChI=1S/C15H18N2OS.C2H6/c1-11(18)17-9-10-19-15(17)16-14-8-4-6-12-5-2-3-7-13(12)14;1-2/h2-3,5,7,14H,4,6,8-10H2,1H3;1-2H3/b16-15-;
InChIKeyFCLMOQVKQYSBBO-YFKNTREVSA-N
XLogP4.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone 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 ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone (CID 90847935) is ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone is CC.CC(=O)N1CCS/C1=N\C1CCCc2ccccc21.
What is the InChIKey of ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is FCLMOQVKQYSBBO-YFKNTREVSA-N. The full InChI is InChI=1S/C15H18N2OS.C2H6/c1-11(18)17-9-10-19-15(17)16-14-8-4-6-12-5-2-3-7-13(12)14;1-2/h2-3,5,7,14H,4,6,8-10H2,1H3;1-2H3/b16-15-;.
What are the key properties of ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone?
ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 304.46 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 90847935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).