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

C15H29NOS — CID 57094541

IUPAC3-(4-octoxybutyl)-2H-1,3-thiazole
SMILESCCCCCCCCOCCCCN1C=CSC1
InChIInChI=1S/C15H29NOS/c1-2-3-4-5-6-8-12-17-13-9-7-10-16-11-14-18-15-16/h11,14H,2-10,12-13,15H2,1H3
InChIKeyAHNKHBDBSAFLKU-UHFFFAOYSA-N
MW271.47 g/mol
LogP4.62
Rot. Bonds12

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

3-(4-octoxybutyl)-2H-1,3-thiazole (PubChem CID 57094541) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 3-(4-octoxybutyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(4-octoxybutyl)-2H-1,3-thiazole
PubChem CID57094541
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name3-(4-octoxybutyl)-2H-1,3-thiazole
SMILESCCCCCCCCOCCCCN1C=CSC1
InChIInChI=1S/C15H29NOS/c1-2-3-4-5-6-8-12-17-13-9-7-10-16-11-14-18-15-16/h11,14H,2-10,12-13,15H2,1H3
InChIKeyAHNKHBDBSAFLKU-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 54.62
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-hexoxybutyl)-2H-1,3-thiazole
CID 57082132
3-(2-octadecoxyethyl)-2H-1,3-thiazole
CID 57105884
3-(6-octadecoxyhexyl)-2H-1,3-thiazole
CID 57149107
3-(4-dodecoxybutyl)-2H-1,3-thiazole
CID 57263493
3-[8-(3-octadecoxypropoxy)octyl]-2H-1,3-thiazole
CID 57263726
3-(3-octadecoxypropyl)-2H-1,3-thiazole
CID 57309420
3-(4-tetradecoxybutyl)-2H-1,3-thiazole
CID 57318514

Frequently Asked Questions

What is the IUPAC name of 3-(4-octoxybutyl)-2H-1,3-thiazole?
The IUPAC name of 3-(4-octoxybutyl)-2H-1,3-thiazole (CID 57094541) is 3-(4-octoxybutyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(4-octoxybutyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(4-octoxybutyl)-2H-1,3-thiazole is CCCCCCCCOCCCCN1C=CSC1.
What is the InChIKey of 3-(4-octoxybutyl)-2H-1,3-thiazole?
The InChIKey is AHNKHBDBSAFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-2-3-4-5-6-8-12-17-13-9-7-10-16-11-14-18-15-16/h11,14H,2-10,12-13,15H2,1H3.
What are the key properties of 3-(4-octoxybutyl)-2H-1,3-thiazole?
3-(4-octoxybutyl)-2H-1,3-thiazole has a molecular weight of 271.47 g/mol, XLogP of 4.62, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-octoxybutyl)-2H-1,3-thiazole is sourced from PubChem (CID 57094541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).