2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

C18H20N2OS — CID 10448241

IUPAC2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCC(C)c1cccc(C(C)C)c1-n1sc2ncccc2c1=O
InChIInChI=1S/C18H20N2OS/c1-11(2)13-7-5-8-14(12(3)4)16(13)20-18(21)15-9-6-10-19-17(15)22-20/h5-12H,1-4H3
InChIKeyPOFKYHKGBXJQGG-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.69
Rot. Bonds3

About 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 10448241) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID10448241
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCC(C)c1cccc(C(C)C)c1-n1sc2ncccc2c1=O
InChIInChI=1S/C18H20N2OS/c1-11(2)13-7-5-8-14(12(3)4)16(13)20-18(21)15-9-6-10-19-17(15)22-20/h5-12H,1-4H3
InChIKeyPOFKYHKGBXJQGG-UHFFFAOYSA-N
XLogP4.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 10448241) is 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one is CC(C)c1cccc(C(C)C)c1-n1sc2ncccc2c1=O.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is POFKYHKGBXJQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-11(2)13-7-5-8-14(12(3)4)16(13)20-18(21)15-9-6-10-19-17(15)22-20/h5-12H,1-4H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 312.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 10448241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).