3-(4-ethoxybutyl)-2H-1,3-thiazole

C9H17NOS — CID 57043680

IUPAC3-(4-ethoxybutyl)-2H-1,3-thiazole
SMILESCCOCCCCN1C=CSC1
InChIInChI=1S/C9H17NOS/c1-2-11-7-4-3-5-10-6-8-12-9-10/h6,8H,2-5,7,9H2,1H3
InChIKeyJAEQSPLEOGJPJK-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.28
Rot. Bonds6

About 3-(4-ethoxybutyl)-2H-1,3-thiazole

3-(4-ethoxybutyl)-2H-1,3-thiazole (PubChem CID 57043680) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-(4-ethoxybutyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(4-ethoxybutyl)-2H-1,3-thiazole
PubChem CID57043680
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-(4-ethoxybutyl)-2H-1,3-thiazole
SMILESCCOCCCCN1C=CSC1
InChIInChI=1S/C9H17NOS/c1-2-11-7-4-3-5-10-6-8-12-9-10/h6,8H,2-5,7,9H2,1H3
InChIKeyJAEQSPLEOGJPJK-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-ethoxybutyl)-2H-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

Related Compounds

3-(4-butoxybutyl)-2H-1,3-thiazole
CID 57077434
3-(4-hexoxybutyl)-2H-1,3-thiazole
CID 57082132
3-(4-octoxybutyl)-2H-1,3-thiazole
CID 57094541
3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410723
3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410745
3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410749
3-(4-Methoxybutyl)-1,3-thiazol-2-one
CID 115749775

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxybutyl)-2H-1,3-thiazole?
The IUPAC name of 3-(4-ethoxybutyl)-2H-1,3-thiazole (CID 57043680) is 3-(4-ethoxybutyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(4-ethoxybutyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(4-ethoxybutyl)-2H-1,3-thiazole is CCOCCCCN1C=CSC1.
What is the InChIKey of 3-(4-ethoxybutyl)-2H-1,3-thiazole?
The InChIKey is JAEQSPLEOGJPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-2-11-7-4-3-5-10-6-8-12-9-10/h6,8H,2-5,7,9H2,1H3.
What are the key properties of 3-(4-ethoxybutyl)-2H-1,3-thiazole?
3-(4-ethoxybutyl)-2H-1,3-thiazole has a molecular weight of 187.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxybutyl)-2H-1,3-thiazole is sourced from PubChem (CID 57043680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).