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

C5H7NOS — CID 118480475

IUPAC(1S)-1-(1,2-thiazol-3-yl)ethanol
SMILESC[C@H](O)c1ccsn1
InChIInChI=1S/C5H7NOS/c1-4(7)5-2-3-8-6-5/h2-4,7H,1H3/t4-/m0/s1
InChIKeyBJVKDXLSEMDAHR-BYPYZUCNSA-N
MW129.18 g/mol
LogP1.20
Rot. Bonds1

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

(1S)-1-(1,2-thiazol-3-yl)ethanol (PubChem CID 118480475) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is (1S)-1-(1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1,2-thiazol-3-yl)ethanol
PubChem CID118480475
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name(1S)-1-(1,2-thiazol-3-yl)ethanol
SMILESC[C@H](O)c1ccsn1
InChIInChI=1S/C5H7NOS/c1-4(7)5-2-3-8-6-5/h2-4,7H,1H3/t4-/m0/s1
InChIKeyBJVKDXLSEMDAHR-BYPYZUCNSA-N
XLogP1.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,2-thiazol-3-yl)ethanol?
The IUPAC name of (1S)-1-(1,2-thiazol-3-yl)ethanol (CID 118480475) is (1S)-1-(1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(1,2-thiazol-3-yl)ethanol?
The canonical SMILES for (1S)-1-(1,2-thiazol-3-yl)ethanol is C[C@H](O)c1ccsn1.
What is the InChIKey of (1S)-1-(1,2-thiazol-3-yl)ethanol?
The InChIKey is BJVKDXLSEMDAHR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7NOS/c1-4(7)5-2-3-8-6-5/h2-4,7H,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(1,2-thiazol-3-yl)ethanol?
(1S)-1-(1,2-thiazol-3-yl)ethanol has a molecular weight of 129.18 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 118480475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).