4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol

C17H18N2OS — CID 64830374

IUPAC4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
SMILESCC(NCCc1ccc(O)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C17H18N2OS/c1-12(14-10-17-16(19-11-14)7-9-21-17)18-8-6-13-2-4-15(20)5-3-13/h2-5,7,9-12,18,20H,6,8H2,1H3
InChIKeyKRXUOTOADWDORU-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.90
Rot. Bonds5

About 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol

4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol (PubChem CID 64830374) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
PubChem CID64830374
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
SMILESCC(NCCc1ccc(O)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C17H18N2OS/c1-12(14-10-17-16(19-11-14)7-9-21-17)18-8-6-13-2-4-15(20)5-3-13/h2-5,7,9-12,18,20H,6,8H2,1H3
InChIKeyKRXUOTOADWDORU-UHFFFAOYSA-N
XLogP3.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol?
The IUPAC name of 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol (CID 64830374) is 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol is CC(NCCc1ccc(O)cc1)c1cnc2ccsc2c1.
What is the InChIKey of 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol?
The InChIKey is KRXUOTOADWDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(14-10-17-16(19-11-14)7-9-21-17)18-8-6-13-2-4-15(20)5-3-13/h2-5,7,9-12,18,20H,6,8H2,1H3.
What are the key properties of 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol?
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol has a molecular weight of 298.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol is sourced from PubChem (CID 64830374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).