3-(2-octadecoxyethyl)-2H-1,3-thiazole

C23H45NOS — CID 57105884

IUPAC3-(2-octadecoxyethyl)-2H-1,3-thiazole
SMILESCCCCCCCCCCCCCCCCCCOCCN1C=CSC1
InChIInChI=1S/C23H45NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-24-19-22-26-23-24/h19,22H,2-18,20-21,23H2,1H3
InChIKeyUEEBIEKTGVLAMB-UHFFFAOYSA-N
MW383.69 g/mol
LogP7.74
Rot. Bonds20

About 3-(2-octadecoxyethyl)-2H-1,3-thiazole

3-(2-octadecoxyethyl)-2H-1,3-thiazole (PubChem CID 57105884) has the molecular formula C23H45NOS and a molecular weight of 383.69 g/mol. Its IUPAC name is 3-(2-octadecoxyethyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(2-octadecoxyethyl)-2H-1,3-thiazole
PubChem CID57105884
Molecular FormulaC23H45NOS
Molecular Weight383.69 g/mol
Exact Mass383.32
IUPAC Name3-(2-octadecoxyethyl)-2H-1,3-thiazole
SMILESCCCCCCCCCCCCCCCCCCOCCN1C=CSC1
InChIInChI=1S/C23H45NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-24-19-22-26-23-24/h19,22H,2-18,20-21,23H2,1H3
InChIKeyUEEBIEKTGVLAMB-UHFFFAOYSA-N
XLogP7.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.69
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-icosoxybutyl)-2H-1,3-thiazole
CID 57027079
3-(4-docosoxybutyl)-2H-1,3-thiazole
CID 57055342
3-(4-octadecoxybutyl)-2H-1,3-thiazole
CID 57069523
3-(3-hexadecoxy-2-methoxypropyl)-2H-1,3-thiazole
CID 57075690
3-(4-octoxybutyl)-2H-1,3-thiazole
CID 57094541
3-(1-hexadecoxypropan-2-yl)-2H-1,3-thiazole
CID 57134100
3-(6-octadecoxyhexyl)-2H-1,3-thiazole
CID 57149107
3-(4-dodecoxybutyl)-2H-1,3-thiazole
CID 57263493
3-(3-octadecoxypropyl)-2H-1,3-thiazole
CID 57309420
3-(4-tetradecoxybutyl)-2H-1,3-thiazole
CID 57318514
3-(1-hexadecoxypropan-2-yl)-2H-1,3-thiazole;hydrobromide
CID 173329970
3-(3-hexadecoxy-2-methoxypropyl)-2H-1,3-thiazole;hydroiodide
CID 173329974

Frequently Asked Questions

What is the IUPAC name of 3-(2-octadecoxyethyl)-2H-1,3-thiazole?
The IUPAC name of 3-(2-octadecoxyethyl)-2H-1,3-thiazole (CID 57105884) is 3-(2-octadecoxyethyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(2-octadecoxyethyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(2-octadecoxyethyl)-2H-1,3-thiazole is CCCCCCCCCCCCCCCCCCOCCN1C=CSC1.
What is the InChIKey of 3-(2-octadecoxyethyl)-2H-1,3-thiazole?
The InChIKey is UEEBIEKTGVLAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-24-19-22-26-23-24/h19,22H,2-18,20-21,23H2,1H3.
What are the key properties of 3-(2-octadecoxyethyl)-2H-1,3-thiazole?
3-(2-octadecoxyethyl)-2H-1,3-thiazole has a molecular weight of 383.69 g/mol, XLogP of 7.74, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-octadecoxyethyl)-2H-1,3-thiazole is sourced from PubChem (CID 57105884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).