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

C11H20N2O4S — CID 106380892

IUPAC4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCOCCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C11H20N2O4S/c1-15-4-5-17-7-6-16-3-2-12-8-10-9-18-11(14)13-10/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyVHFAWMMCUYJIQT-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.21
Rot. Bonds11

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

4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380892) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380892
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCOCCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C11H20N2O4S/c1-15-4-5-17-7-6-16-3-2-12-8-10-9-18-11(14)13-10/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyVHFAWMMCUYJIQT-UHFFFAOYSA-N
XLogP0.21
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380892) is 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one is COCCOCCOCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VHFAWMMCUYJIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-15-4-5-17-7-6-16-3-2-12-8-10-9-18-11(14)13-10/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 276.36 g/mol, XLogP of 0.21, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).