[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium

C18H22FN2O2S+ — CID 7337769

IUPAC[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium
SMILESCOCC[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2S/c1-23-10-8-20-12-17(22)21-9-6-16-15(7-11-24-16)18(21)13-2-4-14(19)5-3-13/h2-5,7,11,18,20H,6,8-10,12H2,1H3/p+1/t18-/m1/s1
InChIKeyBIRGKNCJWZCCHC-GOSISDBHSA-O
MW349.45 g/mol
LogP1.57
Rot. Bonds6

About [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium

[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium (PubChem CID 7337769) has the molecular formula C18H22FN2O2S+ and a molecular weight of 349.45 g/mol. Its IUPAC name is [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium.

Molecular Properties

Compound Name[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium
PubChem CID7337769
Molecular FormulaC18H22FN2O2S+
Molecular Weight349.45 g/mol
Exact Mass349.14
IUPAC Name[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium
SMILESCOCC[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2S/c1-23-10-8-20-12-17(22)21-9-6-16-15(7-11-24-16)18(21)13-2-4-14(19)5-3-13/h2-5,7,11,18,20H,6,8-10,12H2,1H3/p+1/t18-/m1/s1
InChIKeyBIRGKNCJWZCCHC-GOSISDBHSA-O
XLogP1.57
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[(4S)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
CID 7356618
1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pentan-1-one
CID 7226296
N-[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)butanamide
CID 7297701
1-[(4S)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7409512
2-(tert-butylamino)-1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 811400
4-fluoro-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4654627
1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 7249091
4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 3665666
3-cyclopentyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 3414525
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 5189587
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)adamantane-1-carboxamide
CID 5028106
[(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
CID 7283720

Frequently Asked Questions

What is the IUPAC name of [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium?
The IUPAC name of [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium (CID 7337769) is [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium.
What is the SMILES notation for [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium?
The canonical SMILES for [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium is COCC[NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1.
What is the InChIKey of [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium?
The InChIKey is BIRGKNCJWZCCHC-GOSISDBHSA-O. The full InChI is InChI=1S/C18H21FN2O2S/c1-23-10-8-20-12-17(22)21-9-6-16-15(7-11-24-16)18(21)13-2-4-14(19)5-3-13/h2-5,7,11,18,20H,6,8-10,12H2,1H3/p+1/t18-/m1/s1.
What are the key properties of [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium?
[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium has a molecular weight of 349.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium is sourced from PubChem (CID 7337769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).