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

C13H25NOS — CID 57082132

IUPAC3-(4-hexoxybutyl)-2H-1,3-thiazole
SMILESCCCCCCOCCCCN1C=CSC1
InChIInChI=1S/C13H25NOS/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
InChIKeyAKNPAAFSZSDQCJ-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.84
Rot. Bonds10

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

3-(4-hexoxybutyl)-2H-1,3-thiazole (PubChem CID 57082132) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-(4-hexoxybutyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(4-hexoxybutyl)-2H-1,3-thiazole
PubChem CID57082132
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name3-(4-hexoxybutyl)-2H-1,3-thiazole
SMILESCCCCCCOCCCCN1C=CSC1
InChIInChI=1S/C13H25NOS/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
InChIKeyAKNPAAFSZSDQCJ-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.84
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-ethoxybutyl)-2H-1,3-thiazole
CID 57043680
3-(4-docosoxybutyl)-2H-1,3-thiazole
CID 57055342
3-(4-octadecoxybutyl)-2H-1,3-thiazole
CID 57069523
3-(4-butoxybutyl)-2H-1,3-thiazole
CID 57077434
3-(4-octoxybutyl)-2H-1,3-thiazole
CID 57094541
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-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410723
3-(4-dodecoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410724

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxybutyl)-2H-1,3-thiazole?
The IUPAC name of 3-(4-hexoxybutyl)-2H-1,3-thiazole (CID 57082132) is 3-(4-hexoxybutyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(4-hexoxybutyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(4-hexoxybutyl)-2H-1,3-thiazole is CCCCCCOCCCCN1C=CSC1.
What is the InChIKey of 3-(4-hexoxybutyl)-2H-1,3-thiazole?
The InChIKey is AKNPAAFSZSDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/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.
What are the key properties of 3-(4-hexoxybutyl)-2H-1,3-thiazole?
3-(4-hexoxybutyl)-2H-1,3-thiazole has a molecular weight of 243.42 g/mol, XLogP of 3.84, 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 is sourced from PubChem (CID 57082132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).