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

C5H9NOS — CID 173056379

IUPAC1-(2H-1,3-thiazol-3-yl)ethanol
SMILESCC(O)N1C=CSC1
InChIInChI=1S/C5H9NOS/c1-5(7)6-2-3-8-4-6/h2-3,5,7H,4H2,1H3
InChIKeyUGUJNQRYCRREOC-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.80
Rot. Bonds1

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

1-(2H-1,3-thiazol-3-yl)ethanol (PubChem CID 173056379) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 1-(2H-1,3-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2H-1,3-thiazol-3-yl)ethanol
PubChem CID173056379
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name1-(2H-1,3-thiazol-3-yl)ethanol
SMILESCC(O)N1C=CSC1
InChIInChI=1S/C5H9NOS/c1-5(7)6-2-3-8-4-6/h2-3,5,7H,4H2,1H3
InChIKeyUGUJNQRYCRREOC-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-1,3-thiazol-3-yl)ethanol?
The IUPAC name of 1-(2H-1,3-thiazol-3-yl)ethanol (CID 173056379) is 1-(2H-1,3-thiazol-3-yl)ethanol.
What is the SMILES notation for 1-(2H-1,3-thiazol-3-yl)ethanol?
The canonical SMILES for 1-(2H-1,3-thiazol-3-yl)ethanol is CC(O)N1C=CSC1.
What is the InChIKey of 1-(2H-1,3-thiazol-3-yl)ethanol?
The InChIKey is UGUJNQRYCRREOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-5(7)6-2-3-8-4-6/h2-3,5,7H,4H2,1H3.
What are the key properties of 1-(2H-1,3-thiazol-3-yl)ethanol?
1-(2H-1,3-thiazol-3-yl)ethanol has a molecular weight of 131.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-1,3-thiazol-3-yl)ethanol is sourced from PubChem (CID 173056379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).