4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one

C14H26N2O4S — CID 106380740

IUPAC4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCCOCCOCCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C14H26N2O4S/c1-2-3-5-18-7-9-20-10-8-19-6-4-15-11-13-12-21-14(17)16-13/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyTWNNXIMWLGNWCV-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.38
Rot. Bonds14

About 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380740) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380740
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCCOCCOCCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C14H26N2O4S/c1-2-3-5-18-7-9-20-10-8-19-6-4-15-11-13-12-21-14(17)16-13/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyTWNNXIMWLGNWCV-UHFFFAOYSA-N
XLogP1.38
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-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 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380740) is 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one is CCCCOCCOCCOCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is TWNNXIMWLGNWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-2-3-5-18-7-9-20-10-8-19-6-4-15-11-13-12-21-14(17)16-13/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 318.44 g/mol, XLogP of 1.38, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).