(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol

C21H19F2NOS — CID 124856620

IUPAC(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
SMILESO[C@H](CN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2NOS/c22-17-7-6-15(12-18(17)23)19(25)13-24-10-8-20-16(9-11-26-20)21(24)14-4-2-1-3-5-14/h1-7,9,11-12,19,21,25H,8,10,13H2/t19-,21-/m1/s1
InChIKeyOMXZPAKUEDUQIB-TZIWHRDSSA-N
MW371.45 g/mol
LogP4.71
Rot. Bonds4

About (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol

(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol (PubChem CID 124856620) has the molecular formula C21H19F2NOS and a molecular weight of 371.45 g/mol. Its IUPAC name is (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
PubChem CID124856620
Molecular FormulaC21H19F2NOS
Molecular Weight371.45 g/mol
Exact Mass371.12
IUPAC Name(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
SMILESO[C@H](CN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2NOS/c22-17-7-6-15(12-18(17)23)19(25)13-24-10-8-20-16(9-11-26-20)21(24)14-4-2-1-3-5-14/h1-7,9,11-12,19,21,25H,8,10,13H2/t19-,21-/m1/s1
InChIKeyOMXZPAKUEDUQIB-TZIWHRDSSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492460
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25489177
(1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
CID 34192578
N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 45376387
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-7-phenyl-1,4-diazepan-5-one
CID 56818428
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 95334420
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51244387
(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30795922
1-morpholin-4-yl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26377272

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol?
The IUPAC name of (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol (CID 124856620) is (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol?
The canonical SMILES for (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol is O[C@H](CN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol?
The InChIKey is OMXZPAKUEDUQIB-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H19F2NOS/c22-17-7-6-15(12-18(17)23)19(25)13-24-10-8-20-16(9-11-26-20)21(24)14-4-2-1-3-5-14/h1-7,9,11-12,19,21,25H,8,10,13H2/t19-,21-/m1/s1.
What are the key properties of (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol?
(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol has a molecular weight of 371.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol is sourced from PubChem (CID 124856620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).