ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

C9H9N3O2S — CID 76850435

IUPACethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccnc2nc(N)sc12
InChIInChI=1S/C9H9N3O2S/c1-2-14-8(13)5-3-4-11-7-6(5)15-9(10)12-7/h3-4H,2H2,1H3,(H2,10,11,12)
InChIKeyVZBRZAMIXLLAKZ-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.45
Rot. Bonds2

About ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (PubChem CID 76850435) 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-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
PubChem CID76850435
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Nameethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccnc2nc(N)sc12
InChIInChI=1S/C9H9N3O2S/c1-2-14-8(13)5-3-4-11-7-6(5)15-9(10)12-7/h3-4H,2H2,1H3,(H2,10,11,12)
InChIKeyVZBRZAMIXLLAKZ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (CID 76850435) is ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is CCOC(=O)c1ccnc2nc(N)sc12.
What is the InChIKey of ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The InChIKey is VZBRZAMIXLLAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-2-14-8(13)5-3-4-11-7-6(5)15-9(10)12-7/h3-4H,2H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-7-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-7-carboxylate is sourced from PubChem (CID 76850435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).