1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol

C19H21FN2OS — CID 11551924

IUPAC1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol
SMILESCN(C)CCc1sc2ccccc2c1C(C)(O)c1ncccc1F
InChIInChI=1S/C19H21FN2OS/c1-19(23,18-14(20)8-6-11-21-18)17-13-7-4-5-9-15(13)24-16(17)10-12-22(2)3/h4-9,11,23H,10,12H2,1-3H3
InChIKeySJXURPJVBXSLBO-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol

1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol (PubChem CID 11551924) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol
PubChem CID11551924
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol
SMILESCN(C)CCc1sc2ccccc2c1C(C)(O)c1ncccc1F
InChIInChI=1S/C19H21FN2OS/c1-19(23,18-14(20)8-6-11-21-18)17-13-7-4-5-9-15(13)24-16(17)10-12-22(2)3/h4-9,11,23H,10,12H2,1-3H3
InChIKeySJXURPJVBXSLBO-UHFFFAOYSA-N
XLogP3.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884152
1-Phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49795582
1-Benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56672374
N-[(2-fluoro-4-pyridinyl)methyl]-N-[3-(2-hydroxypropan-2-yl)-1-benzothiophen-2-yl]ethanesulfonamide
CID 66907550
Isoquinolin-1-yl(thiophen-2-yl)methanol
CID 2999753
1-(3,4-Difluorophenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49778446
1-(3-Fluorophenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49786306
[2-(1-Benzothiophen-2-yl)-3-pyridinyl]methanol
CID 46228243
1-[4-(3,5-Difluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol
CID 49778341
1-[4-(3-Fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol
CID 49795553
3-(4-Fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol
CID 118708380

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol (CID 11551924) is 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol is CN(C)CCc1sc2ccccc2c1C(C)(O)c1ncccc1F.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol?
The InChIKey is SJXURPJVBXSLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-19(23,18-14(20)8-6-11-21-18)17-13-7-4-5-9-15(13)24-16(17)10-12-22(2)3/h4-9,11,23H,10,12H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol?
1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol has a molecular weight of 344.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 11551924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).