tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate

C20H19N3O4S — CID 59577389

IUPACtert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C20H19N3O4S/c1-20(2,3)27-18(24)22-10-12-11-25-15-9-13(6-7-14(12)15)26-19-23-17-16(28-19)5-4-8-21-17/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeyCZMVGUIABJCHKE-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.25
Rot. Bonds4

About tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate

tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate (PubChem CID 59577389) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate
PubChem CID59577389
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Nametert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C20H19N3O4S/c1-20(2,3)27-18(24)22-10-12-11-25-15-9-13(6-7-14(12)15)26-19-23-17-16(28-19)5-4-8-21-17/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeyCZMVGUIABJCHKE-UHFFFAOYSA-N
XLogP5.25
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate with MolForge

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Related Compounds

[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine
CID 59577515
N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]cyclohexanamine
CID 66786522
tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 59577643
tert-butyl (1S,4S)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68770275
6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid
CID 59577623
ethyl 3-[methyl-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]amino]propanoate
CID 59577636
1-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 59577548
2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577564
N-[(1R,5S)-8-[2-[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 59577464
(1S,4S)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 66787648
formic acid;2-[[3-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 66786867
cyclobutyl-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 59577753

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate (CID 59577389) is tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1coc2cc(Oc3nc4ncccc4s3)ccc12.
What is the InChIKey of tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate?
The InChIKey is CZMVGUIABJCHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-20(2,3)27-18(24)22-10-12-11-25-15-9-13(6-7-14(12)15)26-19-23-17-16(28-19)5-4-8-21-17/h4-9,11H,10H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate?
tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate has a molecular weight of 397.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]carbamate is sourced from PubChem (CID 59577389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).