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

C11H22INOS — CID 173410723

IUPAC3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide
SMILESCCCCOCCCCN1C=CSC1.I
InChIInChI=1S/C11H21NOS.HI/c1-2-3-8-13-9-5-4-6-12-7-10-14-11-12;/h7,10H,2-6,8-9,11H2,1H3;1H
InChIKeyZLVTXFWBEBDGBI-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.68
Rot. Bonds8

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

3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide (PubChem CID 173410723) has the molecular formula C11H22INOS and a molecular weight of 343.27 g/mol. Its IUPAC name is 3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide.

Molecular Properties

Compound Name3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide
PubChem CID173410723
Molecular FormulaC11H22INOS
Molecular Weight343.27 g/mol
Exact Mass343.05
IUPAC Name3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide
SMILESCCCCOCCCCN1C=CSC1.I
InChIInChI=1S/C11H21NOS.HI/c1-2-3-8-13-9-5-4-6-12-7-10-14-11-12;/h7,10H,2-6,8-9,11H2,1H3;1H
InChIKeyZLVTXFWBEBDGBI-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.68
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-butoxybutyl)-2H-1,3-thiazole;hydroiodide?
The IUPAC name of 3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide (CID 173410723) is 3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide.
What is the SMILES notation for 3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide?
The canonical SMILES for 3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide is CCCCOCCCCN1C=CSC1.I.
What is the InChIKey of 3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide?
The InChIKey is ZLVTXFWBEBDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS.HI/c1-2-3-8-13-9-5-4-6-12-7-10-14-11-12;/h7,10H,2-6,8-9,11H2,1H3;1H.
What are the key properties of 3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide?
3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide has a molecular weight of 343.27 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide is sourced from PubChem (CID 173410723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).