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

C13H17N3O2S — CID 111974588

IUPAC2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cnc(-c2ccccn2)s1
InChIInChI=1S/C13H17N3O2S/c17-6-8-18-7-5-14-9-11-10-16-13(19-11)12-3-1-2-4-15-12/h1-4,10,14,17H,5-9H2
InChIKeyXXCSKATWSNNOMK-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.30
Rot. Bonds8

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

2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol (PubChem CID 111974588) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol
PubChem CID111974588
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cnc(-c2ccccn2)s1
InChIInChI=1S/C13H17N3O2S/c17-6-8-18-7-5-14-9-11-10-16-13(19-11)12-3-1-2-4-15-12/h1-4,10,14,17H,5-9H2
InChIKeyXXCSKATWSNNOMK-UHFFFAOYSA-N
XLogP1.30
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.30
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-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethoxy]ethanol
CID 43234376
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111974591
3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 110879669
2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol
CID 82681883
(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 97021393
1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
CID 115091334
2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
CID 61283861
2-[2-(dimethylamino)ethoxy]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103080818
2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol
CID 138115637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol (CID 111974588) is 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol is OCCOCCNCc1cnc(-c2ccccn2)s1.
What is the InChIKey of 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol?
The InChIKey is XXCSKATWSNNOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-6-8-18-7-5-14-9-11-10-16-13(19-11)12-3-1-2-4-15-12/h1-4,10,14,17H,5-9H2.
What are the key properties of 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol?
2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol has a molecular weight of 279.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 111974588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).