3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide

C13H26INOS — CID 173410745

IUPAC3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide
SMILESCCCCCCOCCCCN1C=CSC1.I
InChIInChI=1S/C13H25NOS.HI/c1-2-3-4-6-10-15-11-7-5-8-14-9-12-16-13-14;/h9,12H,2-8,10-11,13H2,1H3;1H
InChIKeyGJDKNZYVZNMKKE-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.46
Rot. Bonds10

About 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide

3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide (PubChem CID 173410745) has the molecular formula C13H26INOS and a molecular weight of 371.33 g/mol. Its IUPAC name is 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide.

Molecular Properties

Compound Name3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide
PubChem CID173410745
Molecular FormulaC13H26INOS
Molecular Weight371.33 g/mol
Exact Mass371.08
IUPAC Name3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide
SMILESCCCCCCOCCCCN1C=CSC1.I
InChIInChI=1S/C13H25NOS.HI/c1-2-3-4-6-10-15-11-7-5-8-14-9-12-16-13-14;/h9,12H,2-8,10-11,13H2,1H3;1H
InChIKeyGJDKNZYVZNMKKE-UHFFFAOYSA-N
XLogP4.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide?
The IUPAC name of 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide (CID 173410745) is 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide.
What is the SMILES notation for 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide?
The canonical SMILES for 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide is CCCCCCOCCCCN1C=CSC1.I.
What is the InChIKey of 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide?
The InChIKey is GJDKNZYVZNMKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS.HI/c1-2-3-4-6-10-15-11-7-5-8-14-9-12-16-13-14;/h9,12H,2-8,10-11,13H2,1H3;1H.
What are the key properties of 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide?
3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide has a molecular weight of 371.33 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide is sourced from PubChem (CID 173410745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).