7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

C14H9N3O2S2 — CID 70917346

IUPAC7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
SMILESCSc1nc2ncc(C#N)c(Oc3cccc(O)c3)c2s1
InChIInChI=1S/C14H9N3O2S2/c1-20-14-17-13-12(21-14)11(8(6-15)7-16-13)19-10-4-2-3-9(18)5-10/h2-5,7,18H,1H3
InChIKeyJRVAOIZAJNHJKM-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.78
Rot. Bonds3

About 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (PubChem CID 70917346) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
PubChem CID70917346
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC Name7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
SMILESCSc1nc2ncc(C#N)c(Oc3cccc(O)c3)c2s1
InChIInChI=1S/C14H9N3O2S2/c1-20-14-17-13-12(21-14)11(8(6-15)7-16-13)19-10-4-2-3-9(18)5-10/h2-5,7,18H,1H3
InChIKeyJRVAOIZAJNHJKM-UHFFFAOYSA-N
XLogP3.78
TPSA79.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (CID 70917346) is 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is CSc1nc2ncc(C#N)c(Oc3cccc(O)c3)c2s1.
What is the InChIKey of 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is JRVAOIZAJNHJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c1-20-14-17-13-12(21-14)11(8(6-15)7-16-13)19-10-4-2-3-9(18)5-10/h2-5,7,18H,1H3.
What are the key properties of 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxyphenoxy)-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 70917346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).