2-(1,3-thiazol-2-ylmethoxy)ethanol

C6H9NO2S — CID 45121684

IUPAC2-(1,3-thiazol-2-ylmethoxy)ethanol
SMILESOCCOCc1nccs1
InChIInChI=1S/C6H9NO2S/c8-2-3-9-5-6-7-1-4-10-6/h1,4,8H,2-3,5H2
InChIKeyRKKKMPLEGLTBDG-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.65
Rot. Bonds4

About 2-(1,3-thiazol-2-ylmethoxy)ethanol

2-(1,3-thiazol-2-ylmethoxy)ethanol (PubChem CID 45121684) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethoxy)ethanol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethoxy)ethanol
PubChem CID45121684
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name2-(1,3-thiazol-2-ylmethoxy)ethanol
SMILESOCCOCc1nccs1
InChIInChI=1S/C6H9NO2S/c8-2-3-9-5-6-7-1-4-10-6/h1,4,8H,2-3,5H2
InChIKeyRKKKMPLEGLTBDG-UHFFFAOYSA-N
XLogP0.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-Thiazol-2-ylmethanol
CID 2795213
2-[(Prop-2-yn-1-yloxy)methyl]-1,3-thiazole
CID 167736248
2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207
2-[(1,3-Thiazol-2-yl)methoxy]acetic acid hydrochloride
CID 167721830
2-(1,3-Dioxolan-2-yl)-1,3-thiazole
CID 15205158
2-(Methoxymethyl)thiazole
CID 22758941
2-(Thiazol-2-yloxy)ethanol
CID 45121950
1,3-Thiazol-2-ylmethyl formate
CID 53835685
2-(Thiazol-2-yl)-4,5-dihydrooxazole
CID 57298035
3-(Thiazole-2-yl)-oxetan-3-ol
CID 66521762
1,3-Thiazol-2-ylmethanediol
CID 91164735
(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 164630506

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethoxy)ethanol?
The IUPAC name of 2-(1,3-thiazol-2-ylmethoxy)ethanol (CID 45121684) is 2-(1,3-thiazol-2-ylmethoxy)ethanol.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethoxy)ethanol?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethoxy)ethanol is OCCOCc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethoxy)ethanol?
The InChIKey is RKKKMPLEGLTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c8-2-3-9-5-6-7-1-4-10-6/h1,4,8H,2-3,5H2.
What are the key properties of 2-(1,3-thiazol-2-ylmethoxy)ethanol?
2-(1,3-thiazol-2-ylmethoxy)ethanol has a molecular weight of 159.21 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethoxy)ethanol is sourced from PubChem (CID 45121684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).