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

C11H21NOS — CID 57077434

IUPAC3-(4-butoxybutyl)-2H-1,3-thiazole
SMILESCCCCOCCCCN1C=CSC1
InChIInChI=1S/C11H21NOS/c1-2-3-8-13-9-5-4-6-12-7-10-14-11-12/h7,10H,2-6,8-9,11H2,1H3
InChIKeyRNETWXGGAFIEEU-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.06
Rot. Bonds8

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

3-(4-butoxybutyl)-2H-1,3-thiazole (PubChem CID 57077434) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-(4-butoxybutyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(4-butoxybutyl)-2H-1,3-thiazole
PubChem CID57077434
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name3-(4-butoxybutyl)-2H-1,3-thiazole
SMILESCCCCOCCCCN1C=CSC1
InChIInChI=1S/C11H21NOS/c1-2-3-8-13-9-5-4-6-12-7-10-14-11-12/h7,10H,2-6,8-9,11H2,1H3
InChIKeyRNETWXGGAFIEEU-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.06
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-ethoxybutyl)-2H-1,3-thiazole
CID 57043680
3-(4-hexoxybutyl)-2H-1,3-thiazole
CID 57082132
3-(4-octoxybutyl)-2H-1,3-thiazole
CID 57094541
3-(4-butoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410723
3-(4-hexoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410745
3-(4-ethoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410749
3-(4-Methoxybutyl)-1,3-thiazol-2-one
CID 115749775

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxybutyl)-2H-1,3-thiazole?
The IUPAC name of 3-(4-butoxybutyl)-2H-1,3-thiazole (CID 57077434) is 3-(4-butoxybutyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(4-butoxybutyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(4-butoxybutyl)-2H-1,3-thiazole is CCCCOCCCCN1C=CSC1.
What is the InChIKey of 3-(4-butoxybutyl)-2H-1,3-thiazole?
The InChIKey is RNETWXGGAFIEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-2-3-8-13-9-5-4-6-12-7-10-14-11-12/h7,10H,2-6,8-9,11H2,1H3.
What are the key properties of 3-(4-butoxybutyl)-2H-1,3-thiazole?
3-(4-butoxybutyl)-2H-1,3-thiazole has a molecular weight of 215.36 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxybutyl)-2H-1,3-thiazole is sourced from PubChem (CID 57077434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).