2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride

C9H18ClNOS — CID 67863022

IUPAC2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride
SMILESCCCCCCN1CC=CS1=O.Cl
InChIInChI=1S/C9H17NOS.ClH/c1-2-3-4-5-7-10-8-6-9-12(10)11;/h6,9H,2-5,7-8H2,1H3;1H
InChIKeyJIPXHYPOQMCLCF-UHFFFAOYSA-N
MW223.77 g/mol
LogP2.48
Rot. Bonds5

About 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride

2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride (PubChem CID 67863022) has the molecular formula C9H18ClNOS and a molecular weight of 223.77 g/mol. Its IUPAC name is 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride.

Molecular Properties

Compound Name2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride
PubChem CID67863022
Molecular FormulaC9H18ClNOS
Molecular Weight223.77 g/mol
Exact Mass223.08
IUPAC Name2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride
SMILESCCCCCCN1CC=CS1=O.Cl
InChIInChI=1S/C9H17NOS.ClH/c1-2-3-4-5-7-10-8-6-9-12(10)11;/h6,9H,2-5,7-8H2,1H3;1H
InChIKeyJIPXHYPOQMCLCF-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.77
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The IUPAC name of 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride (CID 67863022) is 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride.
What is the SMILES notation for 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The canonical SMILES for 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride is CCCCCCN1CC=CS1=O.Cl.
What is the InChIKey of 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The InChIKey is JIPXHYPOQMCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS.ClH/c1-2-3-4-5-7-10-8-6-9-12(10)11;/h6,9H,2-5,7-8H2,1H3;1H.
What are the key properties of 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride?
2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride has a molecular weight of 223.77 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3H-1,2-thiazole 1-oxide;hydrochloride is sourced from PubChem (CID 67863022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).