ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

C9H9N3O2S — CID 117275708

IUPACethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(N)sc2c1
InChIInChI=1S/C9H9N3O2S/c1-2-14-8(13)5-3-6-7(11-4-5)12-9(10)15-6/h3-4H,2H2,1H3,(H2,10,11,12)
InChIKeyHGLAWSVNBBWRBK-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.45
Rot. Bonds2

About ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 117275708) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID117275708
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Nameethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(N)sc2c1
InChIInChI=1S/C9H9N3O2S/c1-2-14-8(13)5-3-6-7(11-4-5)12-9(10)15-6/h3-4H,2H2,1H3,(H2,10,11,12)
InChIKeyHGLAWSVNBBWRBK-UHFFFAOYSA-N
XLogP1.45
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
CID 68517105
2-Amino-(1,3)thiazolo(4,5-b)pyridine-6-carboxylic acid
CID 83667879
Ethyl 5-(ethoxymethylideneamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2825660
1,3-Thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
CID 75510327
Methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 121379369
Methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 138688244
Methyl 5-{imidazo[1,2-a]pyridine-6-amido}-3-methylthiophene-2-carboxylate
CID 72130140
Ethyl 5-amino-2-(ethoxycarbonylmethylthio)thieno[2,3-d]pyrimidine-6-carboxylate
CID 14177215
Methyl 7-thia-2,4,5,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene-10-carboxylate
CID 162412485
Thiamine, nicotinate (ester), monohydrochloride
CID 89108
Methyl 2-amino-3-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyridine-6-carboxylate
CID 10914104
5-Fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid
CID 108066564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 117275708) is ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2nc(N)sc2c1.
What is the InChIKey of ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is HGLAWSVNBBWRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-2-14-8(13)5-3-6-7(11-4-5)12-9(10)15-6/h3-4H,2H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 223.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 117275708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).