2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole

C9H13NO2S — CID 67003828

IUPAC2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole
SMILESCOCOC1(c2nccs2)CCC1
InChIInChI=1S/C9H13NO2S/c1-11-7-12-9(3-2-4-9)8-10-5-6-13-8/h5-6H,2-4,7H2,1H3
InChIKeyPYNAIDOJTJGDKR-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.14
Rot. Bonds4

About 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole

2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole (PubChem CID 67003828) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole
PubChem CID67003828
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole
SMILESCOCOC1(c2nccs2)CCC1
InChIInChI=1S/C9H13NO2S/c1-11-7-12-9(3-2-4-9)8-10-5-6-13-8/h5-6H,2-4,7H2,1H3
InChIKeyPYNAIDOJTJGDKR-UHFFFAOYSA-N
XLogP2.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole?
The IUPAC name of 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole (CID 67003828) is 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole is COCOC1(c2nccs2)CCC1.
What is the InChIKey of 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole?
The InChIKey is PYNAIDOJTJGDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-11-7-12-9(3-2-4-9)8-10-5-6-13-8/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole?
2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole has a molecular weight of 199.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethoxy)cyclobutyl]-1,3-thiazole is sourced from PubChem (CID 67003828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).