methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate

C12H14N2O2S — CID 973731

IUPACmethyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCc1cc2c(N)c(C(=O)OC)sc2nc1C
InChIInChI=1S/C12H14N2O2S/c1-4-7-5-8-9(13)10(12(15)16-3)17-11(8)14-6(7)2/h5H,4,13H2,1-3H3
InChIKeyICTWJLCKMSXECU-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.54
Rot. Bonds2

About methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 973731) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID973731
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Namemethyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCc1cc2c(N)c(C(=O)OC)sc2nc1C
InChIInChI=1S/C12H14N2O2S/c1-4-7-5-8-9(13)10(12(15)16-3)17-11(8)14-6(7)2/h5H,4,13H2,1-3H3
InChIKeyICTWJLCKMSXECU-UHFFFAOYSA-N
XLogP2.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.54
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-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate (CID 973731) is methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate is CCc1cc2c(N)c(C(=O)OC)sc2nc1C.
What is the InChIKey of methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is ICTWJLCKMSXECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-4-7-5-8-9(13)10(12(15)16-3)17-11(8)14-6(7)2/h5H,4,13H2,1-3H3.
What are the key properties of methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-5-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 250.32 g/mol, XLogP of 2.54, 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-ethyl-6-methylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 973731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).