4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine

C12H14N2O2S — CID 146653089

IUPAC4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESCOc1ncc(C2CCOCC2)c2scnc12
InChIInChI=1S/C12H14N2O2S/c1-15-12-10-11(17-7-14-10)9(6-13-12)8-2-4-16-5-3-8/h6-8H,2-5H2,1H3
InChIKeyNVHCYAJSVUHYQA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.59
Rot. Bonds2

About 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine

4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 146653089) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID146653089
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESCOc1ncc(C2CCOCC2)c2scnc12
InChIInChI=1S/C12H14N2O2S/c1-15-12-10-11(17-7-14-10)9(6-13-12)8-2-4-16-5-3-8/h6-8H,2-5H2,1H3
InChIKeyNVHCYAJSVUHYQA-UHFFFAOYSA-N
XLogP2.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 146653089) is 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine is COc1ncc(C2CCOCC2)c2scnc12.
What is the InChIKey of 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is NVHCYAJSVUHYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-12-10-11(17-7-14-10)9(6-13-12)8-2-4-16-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine?
4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 250.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 146653089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).