2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol

C16H13F3N2OS — CID 109396424

IUPAC2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol
SMILESOCC(NCc1cnc2ccsc2c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H13F3N2OS/c17-11-4-10(5-12(18)16(11)19)14(8-22)21-7-9-3-15-13(20-6-9)1-2-23-15/h1-6,14,21-22H,7-8H2
InChIKeyFZHHCGFNPGAFQX-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.54
Rot. Bonds5

About 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol

2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol (PubChem CID 109396424) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol
PubChem CID109396424
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol
SMILESOCC(NCc1cnc2ccsc2c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H13F3N2OS/c17-11-4-10(5-12(18)16(11)19)14(8-22)21-7-9-3-15-13(20-6-9)1-2-23-15/h1-6,14,21-22H,7-8H2
InChIKeyFZHHCGFNPGAFQX-UHFFFAOYSA-N
XLogP3.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{Thieno[3,2-b]pyridin-6-yl}propan-1-ol hydrochloride
CID 75481032
[3-Ethoxy-2,2-dimethyl-1-(thieno[3,2-b]pyridin-6-ylmethylamino)cyclobutyl]methanol
CID 86803041
3-(1H-indol-3-yl)-2-(1-thiophen-3-ylethylamino)propan-1-ol
CID 121514571
2-[5-[[5-(Trifluoromethyl)thiophen-3-yl]methylamino]-2-pyridinyl]ethanol
CID 132319459
Thieno[3,2-b]pyridine-2-methanol, 6-(trifluoromethyl)-
CID 22065988
N-(1-thieno[3,2-b]pyridin-3-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 68817803
2-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 69654097
2-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(3-fluoro-2-pyridinyl)ethanol
CID 69654163
2-(Thieno[3,2-d]pyrimidin-4-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 146254383
(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 148887710
[7-(Difluoromethyl)thieno[3,2-b]pyridin-2-yl]methanol
CID 155460182
2-(2,4-Difluorophenyl)-1-[(5-pyridin-4-ylthiophen-3-yl)amino]ethanol
CID 163497926

Frequently Asked Questions

What is the IUPAC name of 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol?
The IUPAC name of 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol (CID 109396424) is 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol is OCC(NCc1cnc2ccsc2c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol?
The InChIKey is FZHHCGFNPGAFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c17-11-4-10(5-12(18)16(11)19)14(8-22)21-7-9-3-15-13(20-6-9)1-2-23-15/h1-6,14,21-22H,7-8H2.
What are the key properties of 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol?
2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol has a molecular weight of 338.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-(3,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 109396424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).