(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride

C5H8ClNOS — CID 71758291

IUPAC(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride
SMILESC[C@H](O)c1cncs1.Cl
InChIInChI=1S/C5H7NOS.ClH/c1-4(7)5-2-6-3-8-5;/h2-4,7H,1H3;1H/t4-;/m0./s1
InChIKeyXXGJSNMDNXPFLR-WCCKRBBISA-N
MW165.65 g/mol
LogP1.62
Rot. Bonds1

About (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride

(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride (PubChem CID 71758291) has the molecular formula C5H8ClNOS and a molecular weight of 165.65 g/mol. Its IUPAC name is (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride
PubChem CID71758291
Molecular FormulaC5H8ClNOS
Molecular Weight165.65 g/mol
Exact Mass165.00
IUPAC Name(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride
SMILESC[C@H](O)c1cncs1.Cl
InChIInChI=1S/C5H7NOS.ClH/c1-4(7)5-2-6-3-8-5;/h2-4,7H,1H3;1H/t4-;/m0./s1
InChIKeyXXGJSNMDNXPFLR-WCCKRBBISA-N
XLogP1.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.65
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride?
The IUPAC name of (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride (CID 71758291) is (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride.
What is the SMILES notation for (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride?
The canonical SMILES for (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride is C[C@H](O)c1cncs1.Cl.
What is the InChIKey of (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride?
The InChIKey is XXGJSNMDNXPFLR-WCCKRBBISA-N. The full InChI is InChI=1S/C5H7NOS.ClH/c1-4(7)5-2-6-3-8-5;/h2-4,7H,1H3;1H/t4-;/m0./s1.
What are the key properties of (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride?
(1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride has a molecular weight of 165.65 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,3-thiazol-5-yl)ethanol;hydrochloride is sourced from PubChem (CID 71758291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).