ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate

C9H8N2O2S — CID 90852129

IUPACethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2scnc2cn1
InChIInChI=1S/C9H8N2O2S/c1-2-13-9(12)6-3-8-7(4-10-6)11-5-14-8/h3-5H,2H2,1H3
InChIKeyDUANPWPHWIDZNZ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.87
Rot. Bonds2

About ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate

ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate (PubChem CID 90852129) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate
PubChem CID90852129
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Nameethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2scnc2cn1
InChIInChI=1S/C9H8N2O2S/c1-2-13-9(12)6-3-8-7(4-10-6)11-5-14-8/h3-5H,2H2,1H3
InChIKeyDUANPWPHWIDZNZ-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

ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 170948135
5-ethoxycarbonylpyrazine-2-carboxylate
CID 86656579
ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate
CID 12529967
ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 12043936
ethyl 7-(bromomethoxy)isoquinoline-3-carboxylate
CID 155092531
ethyl 5-[[[2-(1,3-benzothiazol-6-yl)acetyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 166315966
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
ethyl 6-fluoroisoquinoline-3-carboxylate
CID 73012991
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675

Frequently Asked Questions

What is the IUPAC name of ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate (CID 90852129) is ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate is CCOC(=O)c1cc2scnc2cn1.
What is the InChIKey of ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
The InChIKey is DUANPWPHWIDZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-2-13-9(12)6-3-8-7(4-10-6)11-5-14-8/h3-5H,2H2,1H3.
What are the key properties of ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate?
ethyl [1,3]thiazolo[4,5-c]pyridine-6-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[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 90852129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).