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

C10H10N2OS — CID 168761755

IUPAC2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one
SMILESCC(C)C(=O)c1nc2ncccc2s1
InChIInChI=1S/C10H10N2OS/c1-6(2)8(13)10-12-9-7(14-10)4-3-5-11-9/h3-6H,1-2H3
InChIKeyHPRKCEHBUIIQFU-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.53
Rot. Bonds2

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

2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one (PubChem CID 168761755) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one
PubChem CID168761755
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one
SMILESCC(C)C(=O)c1nc2ncccc2s1
InChIInChI=1S/C10H10N2OS/c1-6(2)8(13)10-12-9-7(14-10)4-3-5-11-9/h3-6H,1-2H3
InChIKeyHPRKCEHBUIIQFU-UHFFFAOYSA-N
XLogP2.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one (CID 168761755) is 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one is CC(C)C(=O)c1nc2ncccc2s1.
What is the InChIKey of 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one?
The InChIKey is HPRKCEHBUIIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6(2)8(13)10-12-9-7(14-10)4-3-5-11-9/h3-6H,1-2H3.
What are the key properties of 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one?
2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one has a molecular weight of 206.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 168761755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).