3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine

C20H19N3O3S — CID 66787020

IUPAC3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine
SMILESCC1COCCN1Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1
InChIInChI=1S/C20H19N3O3S/c1-13-12-24-8-7-23(13)11-16-10-14-9-15(4-5-17(14)25-16)26-20-22-19-18(27-20)3-2-6-21-19/h2-6,9-10,13H,7-8,11-12H2,1H3
InChIKeyCCNYCPBLJMZZJU-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.45
Rot. Bonds4

About 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine

3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine (PubChem CID 66787020) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine
PubChem CID66787020
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine
SMILESCC1COCCN1Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1
InChIInChI=1S/C20H19N3O3S/c1-13-12-24-8-7-23(13)11-16-10-14-9-15(4-5-17(14)25-16)26-20-22-19-18(27-20)3-2-6-21-19/h2-6,9-10,13H,7-8,11-12H2,1H3
InChIKeyCCNYCPBLJMZZJU-UHFFFAOYSA-N
XLogP4.45
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine?
The IUPAC name of 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine (CID 66787020) is 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine.
What is the SMILES notation for 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine?
The canonical SMILES for 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine is CC1COCCN1Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1.
What is the InChIKey of 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine?
The InChIKey is CCNYCPBLJMZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-12-24-8-7-23(13)11-16-10-14-9-15(4-5-17(14)25-16)26-20-22-19-18(27-20)3-2-6-21-19/h2-6,9-10,13H,7-8,11-12H2,1H3.
What are the key properties of 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine?
3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine has a molecular weight of 381.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[5-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]morpholine is sourced from PubChem (CID 66787020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).