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

C9H8N2O2S — CID 65335468

IUPACethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cccnc2s1
InChIInChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-4-3-5-10-7(6)14-8/h3-5H,2H2,1H3
InChIKeyWPHYGZDNIVMAAK-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.87
Rot. Bonds2

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

ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate (PubChem CID 65335468) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate
PubChem CID65335468
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Nameethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cccnc2s1
InChIInChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-4-3-5-10-7(6)14-8/h3-5H,2H2,1H3
InChIKeyWPHYGZDNIVMAAK-UHFFFAOYSA-N
XLogP1.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ME-3407
CID 6918179
(1,3)Thiazolo(5,4-b)pyridine-2-carboxylic acid
CID 23145698
2-[(5Z)-4-oxo-2-sulfanylidene-5-{thieno[2,3-b]pyrazin-6-ylmethylidene}-1,3-thiazolidin-3-yl]acetic acid
CID 24795160
1,3-Benzothiazol-2-ylmethyl pyrazine-2-carboxylate
CID 2364899
[1,3]Thiazolo[4,5-c]pyridine-2-carboxylic acid
CID 20426418
[1,3]Thiazolo[5,4-b]pyridine-2-carbaldehyde
CID 79872555
Ethyl 2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetate
CID 2727532
2-([1,3]Thiazolo[5,4-b]pyridin-2-ylsulfanyl)acetic acid
CID 2810546
2-Methylthiazolo[5,4-b]pyridine
CID 640727
Ethyl 2-pyridin-2-yl-1,3-thiazole-4-carboxylate
CID 10082761
4-Pyridin-3-YL-thiazole-2-carboxylic acid ethyl ester
CID 14357969
Methyl 2-{[1,3]thiazolo[4,5-c]pyridin-2-yl}acetate
CID 79475050

Frequently Asked Questions

What is the IUPAC name of ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate?
The IUPAC name of ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate (CID 65335468) is ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate is CCOC(=O)c1nc2cccnc2s1.
What is the InChIKey of ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate?
The InChIKey is WPHYGZDNIVMAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-4-3-5-10-7(6)14-8/h3-5H,2H2,1H3.
What are the key properties of ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate?
ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate has a molecular weight of 208.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate is sourced from PubChem (CID 65335468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).