3-ethyl-1,2-thiazole;hydrochloride

C5H8ClNS — CID 142776981

IUPAC3-ethyl-1,2-thiazole;hydrochloride
SMILESCCc1ccsn1.Cl
InChIInChI=1S/C5H7NS.ClH/c1-2-5-3-4-7-6-5;/h3-4H,2H2,1H3;1H
InChIKeyLGMUSIHKZOUUJW-UHFFFAOYSA-N
MW149.65 g/mol
LogP2.13
Rot. Bonds1

About 3-ethyl-1,2-thiazole;hydrochloride

3-ethyl-1,2-thiazole;hydrochloride (PubChem CID 142776981) has the molecular formula C5H8ClNS and a molecular weight of 149.65 g/mol. Its IUPAC name is 3-ethyl-1,2-thiazole;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1,2-thiazole;hydrochloride
PubChem CID142776981
Molecular FormulaC5H8ClNS
Molecular Weight149.65 g/mol
Exact Mass149.01
IUPAC Name3-ethyl-1,2-thiazole;hydrochloride
SMILESCCc1ccsn1.Cl
InChIInChI=1S/C5H7NS.ClH/c1-2-5-3-4-7-6-5;/h3-4H,2H2,1H3;1H
InChIKeyLGMUSIHKZOUUJW-UHFFFAOYSA-N
XLogP2.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-thiazole;hydrochloride?
The IUPAC name of 3-ethyl-1,2-thiazole;hydrochloride (CID 142776981) is 3-ethyl-1,2-thiazole;hydrochloride.
What is the SMILES notation for 3-ethyl-1,2-thiazole;hydrochloride?
The canonical SMILES for 3-ethyl-1,2-thiazole;hydrochloride is CCc1ccsn1.Cl.
What is the InChIKey of 3-ethyl-1,2-thiazole;hydrochloride?
The InChIKey is LGMUSIHKZOUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.ClH/c1-2-5-3-4-7-6-5;/h3-4H,2H2,1H3;1H.
What are the key properties of 3-ethyl-1,2-thiazole;hydrochloride?
3-ethyl-1,2-thiazole;hydrochloride has a molecular weight of 149.65 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-thiazole;hydrochloride is sourced from PubChem (CID 142776981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).