2-(2H-1,3-thiazol-3-yl)ethanol

C5H9NOS — CID 67246786

IUPAC2-(2H-1,3-thiazol-3-yl)ethanol
SMILESOCCN1C=CSC1
InChIInChI=1S/C5H9NOS/c7-3-1-6-2-4-8-5-6/h2,4,7H,1,3,5H2
InChIKeyLALVQSWIOCZYND-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.46
Rot. Bonds2

About 2-(2H-1,3-thiazol-3-yl)ethanol

2-(2H-1,3-thiazol-3-yl)ethanol (PubChem CID 67246786) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)ethanol
PubChem CID67246786
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name2-(2H-1,3-thiazol-3-yl)ethanol
SMILESOCCN1C=CSC1
InChIInChI=1S/C5H9NOS/c7-3-1-6-2-4-8-5-6/h2,4,7H,1,3,5H2
InChIKeyLALVQSWIOCZYND-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethanol?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethanol (CID 67246786) is 2-(2H-1,3-thiazol-3-yl)ethanol.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)ethanol?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)ethanol is OCCN1C=CSC1.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)ethanol?
The InChIKey is LALVQSWIOCZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c7-3-1-6-2-4-8-5-6/h2,4,7H,1,3,5H2.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)ethanol?
2-(2H-1,3-thiazol-3-yl)ethanol has a molecular weight of 131.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yl)ethanol is sourced from PubChem (CID 67246786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).