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

C10H10N2O2S2 — CID 86681077

IUPACethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(SC)sc2c1
InChIInChI=1S/C10H10N2O2S2/c1-3-14-9(13)6-4-7-8(11-5-6)12-10(15-2)16-7/h4-5H,3H2,1-2H3
InChIKeySRABWQARYLVEAD-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.59
Rot. Bonds3

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

ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 86681077) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID86681077
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Nameethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(SC)sc2c1
InChIInChI=1S/C10H10N2O2S2/c1-3-14-9(13)6-4-7-8(11-5-6)12-10(15-2)16-7/h4-5H,3H2,1-2H3
InChIKeySRABWQARYLVEAD-UHFFFAOYSA-N
XLogP2.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate;heptane
CID 142605352
ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 138688419
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 170948312
2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 117275717
ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555
ethyl 5-cyano-6-methylsulfanylpyridine-3-carboxylate
CID 54004334
methyl 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849981
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
CID 103613540
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 86681077) is ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2nc(SC)sc2c1.
What is the InChIKey of ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is SRABWQARYLVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-3-14-9(13)6-4-7-8(11-5-6)12-10(15-2)16-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 254.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 86681077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).