1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol

C11H14N2OS — CID 109396051

IUPAC1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
SMILESCC(O)CNCc1cnc2ccsc2c1
InChIInChI=1S/C11H14N2OS/c1-8(14)5-12-6-9-4-11-10(13-7-9)2-3-15-11/h2-4,7-8,12,14H,5-6H2,1H3
InChIKeyHLXBEHVQCDKFSW-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.77
Rot. Bonds4

About 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol

1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol (PubChem CID 109396051) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
PubChem CID109396051
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
SMILESCC(O)CNCc1cnc2ccsc2c1
InChIInChI=1S/C11H14N2OS/c1-8(14)5-12-6-9-4-11-10(13-7-9)2-3-15-11/h2-4,7-8,12,14H,5-6H2,1H3
InChIKeyHLXBEHVQCDKFSW-UHFFFAOYSA-N
XLogP1.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol (CID 109396051) is 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol is CC(O)CNCc1cnc2ccsc2c1.
What is the InChIKey of 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol?
The InChIKey is HLXBEHVQCDKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(14)5-12-6-9-4-11-10(13-7-9)2-3-15-11/h2-4,7-8,12,14H,5-6H2,1H3.
What are the key properties of 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol?
1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol has a molecular weight of 222.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol is sourced from PubChem (CID 109396051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).