2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol

C17H18N2OS — CID 69493493

IUPAC2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol
SMILESOCCc1cc2c(NCCc3ccccc3)ccnc2s1
InChIInChI=1S/C17H18N2OS/c20-11-8-14-12-15-16(7-10-19-17(15)21-14)18-9-6-13-4-2-1-3-5-13/h1-5,7,10,12,20H,6,8-9,11H2,(H,18,19)
InChIKeyFNBAZDBJPYTMGI-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.49
Rot. Bonds6

About 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol

2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol (PubChem CID 69493493) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol
PubChem CID69493493
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol
SMILESOCCc1cc2c(NCCc3ccccc3)ccnc2s1
InChIInChI=1S/C17H18N2OS/c20-11-8-14-12-15-16(7-10-19-17(15)21-14)18-9-6-13-4-2-1-3-5-13/h1-5,7,10,12,20H,6,8-9,11H2,(H,18,19)
InChIKeyFNBAZDBJPYTMGI-UHFFFAOYSA-N
XLogP3.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol (CID 69493493) is 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol is OCCc1cc2c(NCCc3ccccc3)ccnc2s1.
What is the InChIKey of 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol?
The InChIKey is FNBAZDBJPYTMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-11-8-14-12-15-16(7-10-19-17(15)21-14)18-9-6-13-4-2-1-3-5-13/h1-5,7,10,12,20H,6,8-9,11H2,(H,18,19).
What are the key properties of 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol?
2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol has a molecular weight of 298.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethylamino)thieno[2,3-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 69493493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).