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

C11H10N2O2S — CID 43155531

IUPACmethyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccncc2)cc1N
InChIInChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)6-9(16-10)7-2-4-13-5-3-7/h2-6H,12H2,1H3
InChIKeyMTWPBJBUARILTH-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.18
Rot. Bonds2

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

methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate (PubChem CID 43155531) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate
PubChem CID43155531
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccncc2)cc1N
InChIInChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)6-9(16-10)7-2-4-13-5-3-7/h2-6H,12H2,1H3
InChIKeyMTWPBJBUARILTH-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate (CID 43155531) is methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccncc2)cc1N.
What is the InChIKey of methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate?
The InChIKey is MTWPBJBUARILTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)6-9(16-10)7-2-4-13-5-3-7/h2-6H,12H2,1H3.
What are the key properties of methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate?
methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.18, 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-pyridin-4-ylthiophene-2-carboxylate is sourced from PubChem (CID 43155531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).