2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one

C9H10N2OS — CID 66808507

IUPAC2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one
SMILESCCCc1nc2c(=O)cc[nH]c2s1
InChIInChI=1S/C9H10N2OS/c1-2-3-7-11-8-6(12)4-5-10-9(8)13-7/h4-5H,2-3H2,1H3,(H,10,12)
InChIKeyJJBHZFRAKJLYOP-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.94
Rot. Bonds2

About 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one

2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one (PubChem CID 66808507) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one.

Molecular Properties

Compound Name2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one
PubChem CID66808507
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one
SMILESCCCc1nc2c(=O)cc[nH]c2s1
InChIInChI=1S/C9H10N2OS/c1-2-3-7-11-8-6(12)4-5-10-9(8)13-7/h4-5H,2-3H2,1H3,(H,10,12)
InChIKeyJJBHZFRAKJLYOP-UHFFFAOYSA-N
XLogP1.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one?
The IUPAC name of 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one (CID 66808507) is 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one.
What is the SMILES notation for 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one?
The canonical SMILES for 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one is CCCc1nc2c(=O)cc[nH]c2s1.
What is the InChIKey of 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one?
The InChIKey is JJBHZFRAKJLYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-3-7-11-8-6(12)4-5-10-9(8)13-7/h4-5H,2-3H2,1H3,(H,10,12).
What are the key properties of 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one?
2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one has a molecular weight of 194.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4H-[1,3]thiazolo[5,4-b]pyridin-7-one is sourced from PubChem (CID 66808507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).