propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate

C17H16N2O2S — CID 2215233

IUPACpropan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1sc2nc(-c3ccccc3)ccc2c1N
InChIInChI=1S/C17H16N2O2S/c1-10(2)21-17(20)15-14(18)12-8-9-13(19-16(12)22-15)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3
InChIKeyFPTRIRLZNAUFJZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.11
Rot. Bonds3

About propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate

propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 2215233) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID2215233
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Namepropan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1sc2nc(-c3ccccc3)ccc2c1N
InChIInChI=1S/C17H16N2O2S/c1-10(2)21-17(20)15-14(18)12-8-9-13(19-16(12)22-15)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3
InChIKeyFPTRIRLZNAUFJZ-UHFFFAOYSA-N
XLogP4.11
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate (CID 2215233) is propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate is CC(C)OC(=O)c1sc2nc(-c3ccccc3)ccc2c1N.
What is the InChIKey of propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is FPTRIRLZNAUFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10(2)21-17(20)15-14(18)12-8-9-13(19-16(12)22-15)11-6-4-3-5-7-11/h3-10H,18H2,1-2H3.
What are the key properties of propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2215233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).