2-(4-methoxyoxan-4-yl)-1,3-thiazole

C9H13NO2S — CID 18996201

IUPAC2-(4-methoxyoxan-4-yl)-1,3-thiazole
SMILESCOC1(c2nccs2)CCOCC1
InChIInChI=1S/C9H13NO2S/c1-11-9(2-5-12-6-3-9)8-10-4-7-13-8/h4,7H,2-3,5-6H2,1H3
InChIKeyLKTZQMNCZQVWST-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.80
Rot. Bonds2

About 2-(4-methoxyoxan-4-yl)-1,3-thiazole

2-(4-methoxyoxan-4-yl)-1,3-thiazole (PubChem CID 18996201) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-1,3-thiazole
PubChem CID18996201
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-(4-methoxyoxan-4-yl)-1,3-thiazole
SMILESCOC1(c2nccs2)CCOCC1
InChIInChI=1S/C9H13NO2S/c1-11-9(2-5-12-6-3-9)8-10-4-7-13-8/h4,7H,2-3,5-6H2,1H3
InChIKeyLKTZQMNCZQVWST-UHFFFAOYSA-N
XLogP1.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-1,3-thiazole (CID 18996201) is 2-(4-methoxyoxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-1,3-thiazole is COC1(c2nccs2)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The InChIKey is LKTZQMNCZQVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-11-9(2-5-12-6-3-9)8-10-4-7-13-8/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-(4-methoxyoxan-4-yl)-1,3-thiazole?
2-(4-methoxyoxan-4-yl)-1,3-thiazole has a molecular weight of 199.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 18996201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).