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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Related Compounds

4-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]phenol
CID 737588
4-[2-(2-Propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol
CID 25012735
3-(2-Thiophen-2-yl-4-pyridinyl)phenol
CID 46887578
2-([1,3]Thiazolo[5,4-c]pyridin-2-yl)phenol
CID 155567556
4-[Pyridin-2-yl(thiophen-2-yl)methyl]phenol
CID 162651065
3-{[[(3-Methyl-2-thienyl)methyl](pyridin-2-ylmethyl)amino]methyl}phenol
CID 46996802
(1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol
CID 125138222
4-(4-{[6-(Trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl}-1-piperazinyl)phenol
CID 10363170
N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]propan-1-amine
CID 71286351
N-[[6-[7-(3-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]propan-1-amine
CID 71286352
3-[[2-[3-(Ethylaminomethyl)phenyl]thieno[3,2-b]pyridin-7-yl]amino]phenol;2,2,2-trifluoroacetic acid
CID 89438684
3-[[2-[4-(Ethylaminomethyl)phenyl]thieno[3,2-b]pyridin-7-yl]amino]phenol;2,2,2-trifluoroacetic acid
CID 89438802

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).