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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Related Compounds

2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79771258
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 81074664
5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771169
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771653
N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79772041
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide
CID 79771358
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 79772531
N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79771666
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774342
2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 79771464
2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide
CID 79771545
5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 114237921

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).