3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide

C24H48INOS — CID 173330046

IUPAC3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCOCCCN1C=CSC1.I
InChIInChI=1S/C24H47NOS.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-19-25-20-23-27-24-25;/h20,23H,2-19,21-22,24H2,1H3;1H
InChIKeyVCDXPCOWWTYGFH-UHFFFAOYSA-N
MW525.63 g/mol
LogP8.75
Rot. Bonds21

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

3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide (PubChem CID 173330046) has the molecular formula C24H48INOS and a molecular weight of 525.63 g/mol. Its IUPAC name is 3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide.

Molecular Properties

Compound Name3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide
PubChem CID173330046
Molecular FormulaC24H48INOS
Molecular Weight525.63 g/mol
Exact Mass525.25
IUPAC Name3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCOCCCN1C=CSC1.I
InChIInChI=1S/C24H47NOS.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-19-25-20-23-27-24-25;/h20,23H,2-19,21-22,24H2,1H3;1H
InChIKeyVCDXPCOWWTYGFH-UHFFFAOYSA-N
XLogP8.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 58.75
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-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide?
The IUPAC name of 3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide (CID 173330046) is 3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide.
What is the SMILES notation for 3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide?
The canonical SMILES for 3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide is CCCCCCCCCCCCCCCCCCOCCCN1C=CSC1.I.
What is the InChIKey of 3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide?
The InChIKey is VCDXPCOWWTYGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NOS.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-19-25-20-23-27-24-25;/h20,23H,2-19,21-22,24H2,1H3;1H.
What are the key properties of 3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide?
3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide has a molecular weight of 525.63 g/mol, XLogP of 8.75, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-octadecoxypropyl)-2H-1,3-thiazole;hydroiodide is sourced from PubChem (CID 173330046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).