methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

C12H12N2O2S — CID 36995603

IUPACmethyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C3CC3)ccc2c1N
InChIInChI=1S/C12H12N2O2S/c1-16-12(15)10-9(13)7-4-5-8(6-2-3-6)14-11(7)17-10/h4-6H,2-3,13H2,1H3
InChIKeyBUZITZFAAWUPQT-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.54
Rot. Bonds2

About methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 36995603) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID36995603
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C3CC3)ccc2c1N
InChIInChI=1S/C12H12N2O2S/c1-16-12(15)10-9(13)7-4-5-8(6-2-3-6)14-11(7)17-10/h4-6H,2-3,13H2,1H3
InChIKeyBUZITZFAAWUPQT-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 ≤ 500248.31
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-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate (CID 36995603) is methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(C3CC3)ccc2c1N.
What is the InChIKey of methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is BUZITZFAAWUPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-16-12(15)10-9(13)7-4-5-8(6-2-3-6)14-11(7)17-10/h4-6H,2-3,13H2,1H3.
What are the key properties of methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 248.31 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-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 36995603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).