5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C21H20N4O2S — CID 88563847

IUPAC5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCOc1cc(-c2ccc3nc(Nc4ccccc4)sc3n2)cnc1OCC
InChIInChI=1S/C21H20N4O2S/c1-3-26-18-12-14(13-22-19(18)27-4-2)16-10-11-17-20(24-16)28-21(25-17)23-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H,23,25)
InChIKeyIDIHWOYOGTZGIY-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.29
Rot. Bonds7

About 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 88563847) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID88563847
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCOc1cc(-c2ccc3nc(Nc4ccccc4)sc3n2)cnc1OCC
InChIInChI=1S/C21H20N4O2S/c1-3-26-18-12-14(13-22-19(18)27-4-2)16-10-11-17-20(24-16)28-21(25-17)23-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H,23,25)
InChIKeyIDIHWOYOGTZGIY-UHFFFAOYSA-N
XLogP5.29
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 88563847) is 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCOc1cc(-c2ccc3nc(Nc4ccccc4)sc3n2)cnc1OCC.
What is the InChIKey of 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is IDIHWOYOGTZGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-26-18-12-14(13-22-19(18)27-4-2)16-10-11-17-20(24-16)28-21(25-17)23-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 392.48 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 88563847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).