methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate

C11H10N2O2S — CID 59363657

IUPACmethyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1-c1nccs1
InChIInChI=1S/C11H10N2O2S/c1-7-3-4-8(10-12-5-6-16-10)9(13-7)11(14)15-2/h3-6H,1-2H3
InChIKeyAPAXMZSTJJLUPI-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.30
Rot. Bonds2

About methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate

methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate (PubChem CID 59363657) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate
PubChem CID59363657
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1-c1nccs1
InChIInChI=1S/C11H10N2O2S/c1-7-3-4-8(10-12-5-6-16-10)9(13-7)11(14)15-2/h3-6H,1-2H3
InChIKeyAPAXMZSTJJLUPI-UHFFFAOYSA-N
XLogP2.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate (CID 59363657) is methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate is COC(=O)c1nc(C)ccc1-c1nccs1.
What is the InChIKey of methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate?
The InChIKey is APAXMZSTJJLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-3-4-8(10-12-5-6-16-10)9(13-7)11(14)15-2/h3-6H,1-2H3.
What are the key properties of methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate?
methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 59363657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).