2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

C11H11N3O2S — CID 138688291

IUPAC2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
SMILESC[C@H]1CCN1c1nc2ncc(C(=O)O)cc2s1
InChIInChI=1S/C11H11N3O2S/c1-6-2-3-14(6)11-13-9-8(17-11)4-7(5-12-9)10(15)16/h4-6H,2-3H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyWQXUCPGMMXGDKB-LURJTMIESA-N
MW249.29 g/mol
LogP1.99
Rot. Bonds2

About 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 138688291) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
PubChem CID138688291
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
SMILESC[C@H]1CCN1c1nc2ncc(C(=O)O)cc2s1
InChIInChI=1S/C11H11N3O2S/c1-6-2-3-14(6)11-13-9-8(17-11)4-7(5-12-9)10(15)16/h4-6H,2-3H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyWQXUCPGMMXGDKB-LURJTMIESA-N
XLogP1.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 138688419
[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]methanone
CID 178181436
5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43187330
2-[(4S)-2-azabicyclo[2.2.0]hexan-2-yl]-4-methyl-1,3-benzothiazole-6-carboxylic acid
CID 170131576
2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
CID 175200683
N-benzyl-1-[6-(2-cyanopropan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 135319479
[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid
CID 84651760
1-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]ethanone
CID 45482714
4-chloro-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688007
1-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]propan-2-one
CID 58579665
7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 172755774
1-[4-[2-[2-(2-methylazetidin-1-yl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
CID 161179939

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid (CID 138688291) is 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid is C[C@H]1CCN1c1nc2ncc(C(=O)O)cc2s1.
What is the InChIKey of 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is WQXUCPGMMXGDKB-LURJTMIESA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-2-3-14(6)11-13-9-8(17-11)4-7(5-12-9)10(15)16/h4-6H,2-3H2,1H3,(H,15,16)/t6-/m0/s1.
What are the key properties of 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid?
2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 138688291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).