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

C13H16N2O2S — CID 165076036

IUPAC2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol
SMILESOCCNCc1cnc(OCc2ccccc2)s1
InChIInChI=1S/C13H16N2O2S/c16-7-6-14-8-12-9-15-13(18-12)17-10-11-4-2-1-3-5-11/h1-5,9,14,16H,6-8,10H2
InChIKeyUHYDAKZKTHMYFU-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.80
Rot. Bonds7

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

2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol (PubChem CID 165076036) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol
PubChem CID165076036
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol
SMILESOCCNCc1cnc(OCc2ccccc2)s1
InChIInChI=1S/C13H16N2O2S/c16-7-6-14-8-12-9-15-13(18-12)17-10-11-4-2-1-3-5-11/h1-5,9,14,16H,6-8,10H2
InChIKeyUHYDAKZKTHMYFU-UHFFFAOYSA-N
XLogP1.80
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol (CID 165076036) is 2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol is OCCNCc1cnc(OCc2ccccc2)s1.
What is the InChIKey of 2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol?
The InChIKey is UHYDAKZKTHMYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-7-6-14-8-12-9-15-13(18-12)17-10-11-4-2-1-3-5-11/h1-5,9,14,16H,6-8,10H2.
What are the key properties of 2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol?
2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol has a molecular weight of 264.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 165076036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).