2-ethyl-5H-1,2-thiazole;hydrochloride

C5H10ClNS — CID 19991341

IUPAC2-ethyl-5H-1,2-thiazole;hydrochloride
SMILESCCN1C=CCS1.Cl
InChIInChI=1S/C5H9NS.ClH/c1-2-6-4-3-5-7-6;/h3-4H,2,5H2,1H3;1H
InChIKeyMCFHZRIKUUMYEZ-UHFFFAOYSA-N
MW151.66 g/mol
LogP1.91
Rot. Bonds1

About 2-ethyl-5H-1,2-thiazole;hydrochloride

2-ethyl-5H-1,2-thiazole;hydrochloride (PubChem CID 19991341) has the molecular formula C5H10ClNS and a molecular weight of 151.66 g/mol. Its IUPAC name is 2-ethyl-5H-1,2-thiazole;hydrochloride.

Molecular Properties

Compound Name2-ethyl-5H-1,2-thiazole;hydrochloride
PubChem CID19991341
Molecular FormulaC5H10ClNS
Molecular Weight151.66 g/mol
Exact Mass151.02
IUPAC Name2-ethyl-5H-1,2-thiazole;hydrochloride
SMILESCCN1C=CCS1.Cl
InChIInChI=1S/C5H9NS.ClH/c1-2-6-4-3-5-7-6;/h3-4H,2,5H2,1H3;1H
InChIKeyMCFHZRIKUUMYEZ-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.66
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5H-1,2-thiazole;hydrochloride?
The IUPAC name of 2-ethyl-5H-1,2-thiazole;hydrochloride (CID 19991341) is 2-ethyl-5H-1,2-thiazole;hydrochloride.
What is the SMILES notation for 2-ethyl-5H-1,2-thiazole;hydrochloride?
The canonical SMILES for 2-ethyl-5H-1,2-thiazole;hydrochloride is CCN1C=CCS1.Cl.
What is the InChIKey of 2-ethyl-5H-1,2-thiazole;hydrochloride?
The InChIKey is MCFHZRIKUUMYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS.ClH/c1-2-6-4-3-5-7-6;/h3-4H,2,5H2,1H3;1H.
What are the key properties of 2-ethyl-5H-1,2-thiazole;hydrochloride?
2-ethyl-5H-1,2-thiazole;hydrochloride has a molecular weight of 151.66 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5H-1,2-thiazole;hydrochloride is sourced from PubChem (CID 19991341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).