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

C16H18FNOS — CID 34192578

IUPAC(1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
SMILESC[C@@H]1c2ccsc2CCN1C[C@@H](O)c1ccccc1F
InChIInChI=1S/C16H18FNOS/c1-11-12-7-9-20-16(12)6-8-18(11)10-15(19)13-4-2-3-5-14(13)17/h2-5,7,9,11,15,19H,6,8,10H2,1H3/t11-,15-/m1/s1
InChIKeyXVNKBBUKWDENTD-IAQYHMDHSA-N
MW291.39 g/mol
LogP3.54
Rot. Bonds3

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

(1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol (PubChem CID 34192578) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
PubChem CID34192578
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name(1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
SMILESC[C@@H]1c2ccsc2CCN1C[C@@H](O)c1ccccc1F
InChIInChI=1S/C16H18FNOS/c1-11-12-7-9-20-16(12)6-8-18(11)10-15(19)13-4-2-3-5-14(13)17/h2-5,7,9,11,15,19H,6,8,10H2,1H3/t11-,15-/m1/s1
InChIKeyXVNKBBUKWDENTD-IAQYHMDHSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94391754
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-thiophen-2-ylethanamine
CID 115287790
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
CID 54939954
(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
CID 124856620
3,3,3-trifluoro-N'-hydroxy-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]propanimidamide
CID 103369359
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-2-ol
CID 114495544
2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 55079205
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8999966
2-ethoxy-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 63068667

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol?
The IUPAC name of (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol (CID 34192578) is (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol?
The canonical SMILES for (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol is C[C@@H]1c2ccsc2CCN1C[C@@H](O)c1ccccc1F.
What is the InChIKey of (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol?
The InChIKey is XVNKBBUKWDENTD-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-11-12-7-9-20-16(12)6-8-18(11)10-15(19)13-4-2-3-5-14(13)17/h2-5,7,9,11,15,19H,6,8,10H2,1H3/t11-,15-/m1/s1.
What are the key properties of (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol?
(1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol has a molecular weight of 291.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol is sourced from PubChem (CID 34192578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).