(8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone

C18H16N2OS2 — CID 166343267

IUPAC(8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone
SMILESCSc1cccc2c1CN(C(=O)c1cncc3sccc13)CC2
InChIInChI=1S/C18H16N2OS2/c1-22-16-4-2-3-12-5-7-20(11-15(12)16)18(21)14-9-19-10-17-13(14)6-8-23-17/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyHURSFUUPMCMHLH-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.22
Rot. Bonds2

About (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone

(8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone (PubChem CID 166343267) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone.

Molecular Properties

Compound Name(8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone
PubChem CID166343267
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name(8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone
SMILESCSc1cccc2c1CN(C(=O)c1cncc3sccc13)CC2
InChIInChI=1S/C18H16N2OS2/c1-22-16-4-2-3-12-5-7-20(11-15(12)16)18(21)14-9-19-10-17-13(14)6-8-23-17/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyHURSFUUPMCMHLH-UHFFFAOYSA-N
XLogP4.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone with MolForge

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Related Compounds

5-(8-methylsulfanyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazine-2-carboxylic acid
CID 166292303
(8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-phthalazin-1-ylmethanone
CID 166339371
(4-benzhydryl-3-ethylpiperazin-1-yl)-thieno[2,3-c]pyridin-4-ylmethanone
CID 178079811
2-[1-benzhydryl-4-(thieno[2,3-c]pyridine-4-carbonyl)piperazin-2-yl]acetic acid
CID 178079860
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfanylphenyl)methanone
CID 114523302
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
CID 114522694
7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532735
(2-methylsulfanylphenyl)-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 25450039
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-hydroxyphenyl)methanone
CID 114523200
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 114523312
3,4-dihydro-1H-isoquinolin-2-yl-[6-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158434
7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532738

Frequently Asked Questions

What is the IUPAC name of (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone?
The IUPAC name of (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone (CID 166343267) is (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone.
What is the SMILES notation for (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone?
The canonical SMILES for (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone is CSc1cccc2c1CN(C(=O)c1cncc3sccc13)CC2.
What is the InChIKey of (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone?
The InChIKey is HURSFUUPMCMHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-22-16-4-2-3-12-5-7-20(11-15(12)16)18(21)14-9-19-10-17-13(14)6-8-23-17/h2-4,6,8-10H,5,7,11H2,1H3.
What are the key properties of (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone?
(8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone has a molecular weight of 340.47 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-thieno[2,3-c]pyridin-4-ylmethanone is sourced from PubChem (CID 166343267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).