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

C9H18INOS — CID 173410749

IUPAC3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide
SMILESCCOCCCCN1C=CSC1.I
InChIInChI=1S/C9H17NOS.HI/c1-2-11-7-4-3-5-10-6-8-12-9-10;/h6,8H,2-5,7,9H2,1H3;1H
InChIKeyZNIQBICBCMSCAU-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.90
Rot. Bonds6

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

3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide (PubChem CID 173410749) has the molecular formula C9H18INOS and a molecular weight of 315.22 g/mol. Its IUPAC name is 3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide.

Molecular Properties

Compound Name3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide
PubChem CID173410749
Molecular FormulaC9H18INOS
Molecular Weight315.22 g/mol
Exact Mass315.02
IUPAC Name3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide
SMILESCCOCCCCN1C=CSC1.I
InChIInChI=1S/C9H17NOS.HI/c1-2-11-7-4-3-5-10-6-8-12-9-10;/h6,8H,2-5,7,9H2,1H3;1H
InChIKeyZNIQBICBCMSCAU-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.90
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-ethoxybutyl)-2H-1,3-thiazole;hydroiodide?
The IUPAC name of 3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide (CID 173410749) is 3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide.
What is the SMILES notation for 3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide?
The canonical SMILES for 3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide is CCOCCCCN1C=CSC1.I.
What is the InChIKey of 3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide?
The InChIKey is ZNIQBICBCMSCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS.HI/c1-2-11-7-4-3-5-10-6-8-12-9-10;/h6,8H,2-5,7,9H2,1H3;1H.
What are the key properties of 3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide?
3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide has a molecular weight of 315.22 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide is sourced from PubChem (CID 173410749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).