methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate

C12H12N2O2S — CID 83971405

IUPACmethyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(-c2ccccn2)c1N
InChIInChI=1S/C12H12N2O2S/c1-7-9(8-5-3-4-6-14-8)10(13)11(17-7)12(15)16-2/h3-6H,13H2,1-2H3
InChIKeyAVDCWOGPWUFYBQ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.49
Rot. Bonds2

About methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate

methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate (PubChem CID 83971405) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
PubChem CID83971405
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(-c2ccccn2)c1N
InChIInChI=1S/C12H12N2O2S/c1-7-9(8-5-3-4-6-14-8)10(13)11(17-7)12(15)16-2/h3-6H,13H2,1-2H3
InChIKeyAVDCWOGPWUFYBQ-UHFFFAOYSA-N
XLogP2.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-methyl-4-pyridin-3-ylthiophene-2-carboxylate
CID 83971401
methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 83971393
methyl 3-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-2-carboxylate
CID 83971383
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
methyl 4-[(dimethylamino)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 58504091
methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
CID 169144350
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate
CID 10684536
ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 132520423
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate (CID 83971405) is methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate is COC(=O)c1sc(C)c(-c2ccccn2)c1N.
What is the InChIKey of methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate?
The InChIKey is AVDCWOGPWUFYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-9(8-5-3-4-6-14-8)10(13)11(17-7)12(15)16-2/h3-6H,13H2,1-2H3.
What are the key properties of methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate?
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 83971405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).