4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine

C12H15N3O2S — CID 137462545

IUPAC4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCOc1ncc(C2CCOCC2)c2sc(N)nc12
InChIInChI=1S/C12H15N3O2S/c1-16-11-9-10(18-12(13)15-9)8(6-14-11)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H2,13,15)
InChIKeyREKLDYNCSIKJLF-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.18
Rot. Bonds2

About 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine

4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 137462545) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID137462545
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCOc1ncc(C2CCOCC2)c2sc(N)nc12
InChIInChI=1S/C12H15N3O2S/c1-16-11-9-10(18-12(13)15-9)8(6-14-11)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H2,13,15)
InChIKeyREKLDYNCSIKJLF-UHFFFAOYSA-N
XLogP2.18
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]pyridin-2-amine?
The IUPAC name of 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 137462545) is 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine is COc1ncc(C2CCOCC2)c2sc(N)nc12.
What is the InChIKey of 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is REKLDYNCSIKJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-16-11-9-10(18-12(13)15-9)8(6-14-11)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H2,13,15).
What are the key properties of 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 265.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 137462545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).