2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C19H21FN2OS — CID 97024947

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESC[C@H]1c2ccc(F)cc2CCN1C(=O)CN1CCc2sccc2C1
InChIInChI=1S/C19H21FN2OS/c1-13-17-3-2-16(20)10-14(17)4-8-22(13)19(23)12-21-7-5-18-15(11-21)6-9-24-18/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3/t13-/m0/s1
InChIKeyFZGAWRZJVOIEGZ-ZDUSSCGKSA-N
MW344.45 g/mol
LogP3.39
Rot. Bonds2

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 97024947) has the molecular formula C19H21FN2OS and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID97024947
Molecular FormulaC19H21FN2OS
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESC[C@H]1c2ccc(F)cc2CCN1C(=O)CN1CCc2sccc2C1
InChIInChI=1S/C19H21FN2OS/c1-13-17-3-2-16(20)10-14(17)4-8-22(13)19(23)12-21-7-5-18-15(11-21)6-9-24-18/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3/t13-/m0/s1
InChIKeyFZGAWRZJVOIEGZ-ZDUSSCGKSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone 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

1-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-hydroxycyclohexyl)ethanone
CID 111539902
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 94435857
1-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 86954623
2-[3-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetic acid
CID 167809841
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112805224
2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide
CID 24504561
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 97024947) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is C[C@H]1c2ccc(F)cc2CCN1C(=O)CN1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is FZGAWRZJVOIEGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-13-17-3-2-16(20)10-14(17)4-8-22(13)19(23)12-21-7-5-18-15(11-21)6-9-24-18/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 344.45 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 97024947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).