2-(oxan-4-ylmethoxy)-1,3-thiazole

C9H13NO2S — CID 126953986

IUPAC2-(oxan-4-ylmethoxy)-1,3-thiazole
SMILESc1csc(OCC2CCOCC2)n1
InChIInChI=1S/C9H13NO2S/c1-4-11-5-2-8(1)7-12-9-10-3-6-13-9/h3,6,8H,1-2,4-5,7H2
InChIKeyBQSLNWZXYSUJLT-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.95
Rot. Bonds3

About 2-(oxan-4-ylmethoxy)-1,3-thiazole

2-(oxan-4-ylmethoxy)-1,3-thiazole (PubChem CID 126953986) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-1,3-thiazole
PubChem CID126953986
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-(oxan-4-ylmethoxy)-1,3-thiazole
SMILESc1csc(OCC2CCOCC2)n1
InChIInChI=1S/C9H13NO2S/c1-4-11-5-2-8(1)7-12-9-10-3-6-13-9/h3,6,8H,1-2,4-5,7H2
InChIKeyBQSLNWZXYSUJLT-UHFFFAOYSA-N
XLogP1.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-1,3-thiazole?
The IUPAC name of 2-(oxan-4-ylmethoxy)-1,3-thiazole (CID 126953986) is 2-(oxan-4-ylmethoxy)-1,3-thiazole.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-1,3-thiazole?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-1,3-thiazole is c1csc(OCC2CCOCC2)n1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-1,3-thiazole?
The InChIKey is BQSLNWZXYSUJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-11-5-2-8(1)7-12-9-10-3-6-13-9/h3,6,8H,1-2,4-5,7H2.
What are the key properties of 2-(oxan-4-ylmethoxy)-1,3-thiazole?
2-(oxan-4-ylmethoxy)-1,3-thiazole has a molecular weight of 199.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-1,3-thiazole is sourced from PubChem (CID 126953986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).