2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol

C11H21N3O2S — CID 114243629

IUPAC2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol
SMILESCCNc1ncc(CN(C)CCOCCO)s1
InChIInChI=1S/C11H21N3O2S/c1-3-12-11-13-8-10(17-11)9-14(2)4-6-16-7-5-15/h8,15H,3-7,9H2,1-2H3,(H,12,13)
InChIKeyREKJLNKNQVQRRE-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.02
Rot. Bonds9

About 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol

2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol (PubChem CID 114243629) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol
PubChem CID114243629
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol
SMILESCCNc1ncc(CN(C)CCOCCO)s1
InChIInChI=1S/C11H21N3O2S/c1-3-12-11-13-8-10(17-11)9-14(2)4-6-16-7-5-15/h8,15H,3-7,9H2,1-2H3,(H,12,13)
InChIKeyREKJLNKNQVQRRE-UHFFFAOYSA-N
XLogP1.02
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.02
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 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol (CID 114243629) is 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol is CCNc1ncc(CN(C)CCOCCO)s1.
What is the InChIKey of 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol?
The InChIKey is REKJLNKNQVQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-12-11-13-8-10(17-11)9-14(2)4-6-16-7-5-15/h8,15H,3-7,9H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol?
2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol has a molecular weight of 259.37 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol is sourced from PubChem (CID 114243629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).