ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

C12H13N3O2S — CID 138688419

IUPACethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(N3CCC3)sc2c1
InChIInChI=1S/C12H13N3O2S/c1-2-17-11(16)8-6-9-10(13-7-8)14-12(18-9)15-4-3-5-15/h6-7H,2-5H2,1H3
InChIKeyDVMCEINRQICSTC-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.08
Rot. Bonds3

About ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 138688419) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID138688419
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(N3CCC3)sc2c1
InChIInChI=1S/C12H13N3O2S/c1-2-17-11(16)8-6-9-10(13-7-8)14-12(18-9)15-4-3-5-15/h6-7H,2-5H2,1H3
InChIKeyDVMCEINRQICSTC-UHFFFAOYSA-N
XLogP2.08
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 86681077
ethyl 2-methyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate;heptane
CID 142605352
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 170948312
ethyl 2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 59625687
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
6-bromo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine
CID 138718669
ethyl 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133359447
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
CID 97035612
2-[(2S)-2-methylazetidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
CID 138688291
ethyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 74927118
ethyl 7-methyl-2-piperidin-1-ylfuro[3,2-f][1,3]benzothiazole-6-carboxylate
CID 6624859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 138688419) is ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2nc(N3CCC3)sc2c1.
What is the InChIKey of ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is DVMCEINRQICSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-11(16)8-6-9-10(13-7-8)14-12(18-9)15-4-3-5-15/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 138688419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).