ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

C12H14N2O2S2 — CID 135319669

IUPACethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(SC)sc2c1CC
InChIInChI=1S/C12H14N2O2S2/c1-4-7-8(11(15)16-5-2)6-13-10-9(7)18-12(14-10)17-3/h6H,4-5H2,1-3H3
InChIKeySSHZRTPFIRCLFO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds4

About ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 135319669) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID135319669
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Nameethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(SC)sc2c1CC
InChIInChI=1S/C12H14N2O2S2/c1-4-7-8(11(15)16-5-2)6-13-10-9(7)18-12(14-10)17-3/h6H,4-5H2,1-3H3
InChIKeySSHZRTPFIRCLFO-UHFFFAOYSA-N
XLogP3.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 135319669) is ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2nc(SC)sc2c1CC.
What is the InChIKey of ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is SSHZRTPFIRCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-4-7-8(11(15)16-5-2)6-13-10-9(7)18-12(14-10)17-3/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 282.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 135319669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).