ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

C10H14N2O2S — CID 58117032

IUPACethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C10H14N2O2S/c1-3-14-10(13)9-11-7-4-5-12(2)6-8(7)15-9/h3-6H2,1-2H3
InChIKeyMQNZLFYVIHQRLR-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.31
Rot. Bonds2

About ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (PubChem CID 58117032) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
PubChem CID58117032
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nameethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C10H14N2O2S/c1-3-14-10(13)9-11-7-4-5-12(2)6-8(7)15-9/h3-6H2,1-2H3
InChIKeyMQNZLFYVIHQRLR-UHFFFAOYSA-N
XLogP1.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (CID 58117032) is ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is CCOC(=O)c1nc2c(s1)CN(C)CC2.
What is the InChIKey of ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The InChIKey is MQNZLFYVIHQRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-14-10(13)9-11-7-4-5-12(2)6-8(7)15-9/h3-6H2,1-2H3.
What are the key properties of ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 58117032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).