2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol

C9H16N2O2S — CID 20696615

IUPAC2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1nccs1
InChIInChI=1S/C9H16N2O2S/c1-13-6-4-11(3-5-12)8-9-10-2-7-14-9/h2,7,12H,3-6,8H2,1H3
InChIKeyXPQKVUONIBTJGU-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.58
Rot. Bonds7

About 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol

2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol (PubChem CID 20696615) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol
PubChem CID20696615
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1nccs1
InChIInChI=1S/C9H16N2O2S/c1-13-6-4-11(3-5-12)8-9-10-2-7-14-9/h2,7,12H,3-6,8H2,1H3
InChIKeyXPQKVUONIBTJGU-UHFFFAOYSA-N
XLogP0.58
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Thiazol-2-ylmethanol
CID 2795213
2-(1,3-Thiazol-2-ylmethylamino)ethanol
CID 28063241
2-(Methoxymethyl)thiazole
CID 22758941
2-Methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol
CID 75482678
(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 164630506
2-(1,3-Thiazol-3-ium-3-yl)ethanol
CID 3559338
3-(2-Hydroxyethyl)-1,3-thiazol-3-ium bromide
CID 13888147
2-[1,3-Thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864910
2-[2,2-Difluoroethyl(1,3-thiazol-2-ylmethyl)amino]ethanol
CID 107485374
1,1,1-Trifluoro-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
CID 109968250
(2-Methoxy-ethyl)-thiazol-2-ylmethyl-amine
CID 4777651
2-(Ethoxymethyl)-1,3-thiazole
CID 17902831

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol (CID 20696615) is 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol is COCCN(CCO)Cc1nccs1.
What is the InChIKey of 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol?
The InChIKey is XPQKVUONIBTJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-13-6-4-11(3-5-12)8-9-10-2-7-14-9/h2,7,12H,3-6,8H2,1H3.
What are the key properties of 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol?
2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol has a molecular weight of 216.31 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 20696615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).