2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C17H18ClFN2OS — CID 18142165

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCN(CC(=O)N1CCc2sccc2C1)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2OS/c1-20(10-13-14(18)3-2-4-15(13)19)11-17(22)21-7-5-16-12(9-21)6-8-23-16/h2-4,6,8H,5,7,9-11H2,1H3
InChIKeyFBKFYYQSYPQNER-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.56
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 18142165) has the molecular formula C17H18ClFN2OS and a molecular weight of 352.86 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID18142165
Molecular FormulaC17H18ClFN2OS
Molecular Weight352.86 g/mol
Exact Mass352.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCN(CC(=O)N1CCc2sccc2C1)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2OS/c1-20(10-13-14(18)3-2-4-15(13)19)11-17(22)21-7-5-16-12(9-21)6-8-23-16/h2-4,6,8H,5,7,9-11H2,1H3
InChIKeyFBKFYYQSYPQNER-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 24607518
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 55503655
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 38216091
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62015561
2-[(3-amino-4-methylpentyl)-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 81496619
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102636643
1-[(2-chlorophenyl)methyl]-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111294860
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 114321058
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 60774931
N-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 112811439
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 18142165) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CN(CC(=O)N1CCc2sccc2C1)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is FBKFYYQSYPQNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2OS/c1-20(10-13-14(18)3-2-4-15(13)19)11-17(22)21-7-5-16-12(9-21)6-8-23-16/h2-4,6,8H,5,7,9-11H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 352.86 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 18142165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).