3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one

C13H23NO4S — CID 116622686

IUPAC3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
SMILESCCCCOCCOCCOCCn1ccsc1=O
InChIInChI=1S/C13H23NO4S/c1-2-3-6-16-8-10-18-11-9-17-7-4-14-5-12-19-13(14)15/h5,12H,2-4,6-11H2,1H3
InChIKeyLHFNTPAPFCDUTM-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.76
Rot. Bonds12

About 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one (PubChem CID 116622686) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
PubChem CID116622686
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
SMILESCCCCOCCOCCOCCn1ccsc1=O
InChIInChI=1S/C13H23NO4S/c1-2-3-6-16-8-10-18-11-9-17-7-4-14-5-12-19-13(14)15/h5,12H,2-4,6-11H2,1H3
InChIKeyLHFNTPAPFCDUTM-UHFFFAOYSA-N
XLogP1.76
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one 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 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one (CID 116622686) is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one is CCCCOCCOCCOCCn1ccsc1=O.
What is the InChIKey of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one?
The InChIKey is LHFNTPAPFCDUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-2-3-6-16-8-10-18-11-9-17-7-4-14-5-12-19-13(14)15/h5,12H,2-4,6-11H2,1H3.
What are the key properties of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one?
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one has a molecular weight of 289.40 g/mol, XLogP of 1.76, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 116622686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).