propan-2-yl thieno[2,3-c]pyridine-3-carboxylate

C11H11NO2S — CID 141058148

IUPACpropan-2-yl thieno[2,3-c]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1csc2cnccc12
InChIInChI=1S/C11H11NO2S/c1-7(2)14-11(13)9-6-15-10-5-12-4-3-8(9)10/h3-7H,1-2H3
InChIKeyIRIMUUOCGPJNNU-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.86
Rot. Bonds2

About propan-2-yl thieno[2,3-c]pyridine-3-carboxylate

propan-2-yl thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 141058148) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is propan-2-yl thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl thieno[2,3-c]pyridine-3-carboxylate
PubChem CID141058148
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Namepropan-2-yl thieno[2,3-c]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1csc2cnccc12
InChIInChI=1S/C11H11NO2S/c1-7(2)14-11(13)9-6-15-10-5-12-4-3-8(9)10/h3-7H,1-2H3
InChIKeyIRIMUUOCGPJNNU-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl thieno[2,3-c]pyridine-3-carboxylate (CID 141058148) is propan-2-yl thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl thieno[2,3-c]pyridine-3-carboxylate is CC(C)OC(=O)c1csc2cnccc12.
What is the InChIKey of propan-2-yl thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is IRIMUUOCGPJNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7(2)14-11(13)9-6-15-10-5-12-4-3-8(9)10/h3-7H,1-2H3.
What are the key properties of propan-2-yl thieno[2,3-c]pyridine-3-carboxylate?
propan-2-yl thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 221.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 141058148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).