1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone

C19H24N4OS2 — CID 171993870

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCSc1nccc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)n1
InChIInChI=1S/C19H24N4OS2/c1-25-19-20-7-2-17(21-19)22-8-3-14(4-9-22)12-18(24)23-10-5-16-15(13-23)6-11-26-16/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3
InChIKeyPZZXCWCIYWMGAS-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.45
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone (PubChem CID 171993870) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone
PubChem CID171993870
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCSc1nccc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)n1
InChIInChI=1S/C19H24N4OS2/c1-25-19-20-7-2-17(21-19)22-8-3-14(4-9-22)12-18(24)23-10-5-16-15(13-23)6-11-26-16/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3
InChIKeyPZZXCWCIYWMGAS-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
CID 171994230
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone
CID 171994650
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]carbamic acid
CID 122651680
tert-butyl 4-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24958508
2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 42932834
2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119922344
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 171994054
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone (CID 171993870) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone is CSc1nccc(N2CCC(CC(=O)N3CCc4sccc4C3)CC2)n1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone?
The InChIKey is PZZXCWCIYWMGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c1-25-19-20-7-2-17(21-19)22-8-3-14(4-9-22)12-18(24)23-10-5-16-15(13-23)6-11-26-16/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone has a molecular weight of 388.56 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 171993870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).