1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone

C18H20N2OS — CID 142450464

IUPAC1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone
SMILESCCC1=C(C(C)=O)C(CC)(c2ccccc2)c2scnc2N1
InChIInChI=1S/C18H20N2OS/c1-4-14-15(12(3)21)18(5-2,13-9-7-6-8-10-13)16-17(20-14)19-11-22-16/h6-11,20H,4-5H2,1-3H3
InChIKeyCPMXZIVBQWIRIV-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.52
Rot. Bonds4

About 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone

1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone (PubChem CID 142450464) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone
PubChem CID142450464
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone
SMILESCCC1=C(C(C)=O)C(CC)(c2ccccc2)c2scnc2N1
InChIInChI=1S/C18H20N2OS/c1-4-14-15(12(3)21)18(5-2,13-9-7-6-8-10-13)16-17(20-14)19-11-22-16/h6-11,20H,4-5H2,1-3H3
InChIKeyCPMXZIVBQWIRIV-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone?
The IUPAC name of 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone (CID 142450464) is 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone is CCC1=C(C(C)=O)C(CC)(c2ccccc2)c2scnc2N1.
What is the InChIKey of 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone?
The InChIKey is CPMXZIVBQWIRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-4-14-15(12(3)21)18(5-2,13-9-7-6-8-10-13)16-17(20-14)19-11-22-16/h6-11,20H,4-5H2,1-3H3.
What are the key properties of 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone?
1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone has a molecular weight of 312.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-diethyl-7-phenyl-4H-[1,3]thiazolo[4,5-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 142450464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).