methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate

C16H11N3O3S — CID 68772342

IUPACmethyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(Oc3nc4ncccc4s3)cc2[nH]1
InChIInChI=1S/C16H11N3O3S/c1-21-15(20)12-7-9-4-5-10(8-11(9)18-12)22-16-19-14-13(23-16)3-2-6-17-14/h2-8,18H,1H3
InChIKeyCCXWSQCIXUTKNJ-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.75
Rot. Bonds3

About methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate

methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate (PubChem CID 68772342) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate
PubChem CID68772342
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Namemethyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(Oc3nc4ncccc4s3)cc2[nH]1
InChIInChI=1S/C16H11N3O3S/c1-21-15(20)12-7-9-4-5-10(8-11(9)18-12)22-16-19-14-13(23-16)3-2-6-17-14/h2-8,18H,1H3
InChIKeyCCXWSQCIXUTKNJ-UHFFFAOYSA-N
XLogP3.75
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate (CID 68772342) is methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate is COC(=O)c1cc2ccc(Oc3nc4ncccc4s3)cc2[nH]1.
What is the InChIKey of methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate?
The InChIKey is CCXWSQCIXUTKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c1-21-15(20)12-7-9-4-5-10(8-11(9)18-12)22-16-19-14-13(23-16)3-2-6-17-14/h2-8,18H,1H3.
What are the key properties of methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate?
methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate has a molecular weight of 325.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 68772342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).