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

C11H12N2O2S — CID 76850514

IUPACmethyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate
SMILESCCc1nc2c(C(=O)OC)nc(C)cc2s1
InChIInChI=1S/C11H12N2O2S/c1-4-8-13-9-7(16-8)5-6(2)12-10(9)11(14)15-3/h5H,4H2,1-3H3
InChIKeyHKFOZCJFBCTMJJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.35
Rot. Bonds2

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

methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate (PubChem CID 76850514) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate
PubChem CID76850514
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Namemethyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate
SMILESCCc1nc2c(C(=O)OC)nc(C)cc2s1
InChIInChI=1S/C11H12N2O2S/c1-4-8-13-9-7(16-8)5-6(2)12-10(9)11(14)15-3/h5H,4H2,1-3H3
InChIKeyHKFOZCJFBCTMJJ-UHFFFAOYSA-N
XLogP2.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate?
The IUPAC name of methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate (CID 76850514) is methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate is CCc1nc2c(C(=O)OC)nc(C)cc2s1.
What is the InChIKey of methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate?
The InChIKey is HKFOZCJFBCTMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-4-8-13-9-7(16-8)5-6(2)12-10(9)11(14)15-3/h5H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate?
methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate is sourced from PubChem (CID 76850514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).