3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one

C13H13NOS — CID 81146669

IUPAC3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
SMILESO=C(CCC1CC1)c1cnc2ccsc2c1
InChIInChI=1S/C13H13NOS/c15-12(4-3-9-1-2-9)10-7-13-11(14-8-10)5-6-16-13/h5-9H,1-4H2
InChIKeyAEOJBIWBVLYPOZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.67
Rot. Bonds4

About 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one

3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one (PubChem CID 81146669) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
PubChem CID81146669
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
SMILESO=C(CCC1CC1)c1cnc2ccsc2c1
InChIInChI=1S/C13H13NOS/c15-12(4-3-9-1-2-9)10-7-13-11(14-8-10)5-6-16-13/h5-9H,1-4H2
InChIKeyAEOJBIWBVLYPOZ-UHFFFAOYSA-N
XLogP3.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one?
The IUPAC name of 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one (CID 81146669) is 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one?
The canonical SMILES for 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one is O=C(CCC1CC1)c1cnc2ccsc2c1.
What is the InChIKey of 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one?
The InChIKey is AEOJBIWBVLYPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-12(4-3-9-1-2-9)10-7-13-11(14-8-10)5-6-16-13/h5-9H,1-4H2.
What are the key properties of 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one?
3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one has a molecular weight of 231.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one is sourced from PubChem (CID 81146669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).