1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile

C16H15N5OS — CID 86794613

IUPAC1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile
SMILESCCC1c2ccsc2CCN1C(=O)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C16H15N5OS/c1-2-13-11-4-6-23-15(11)3-5-21(13)16(22)9-20-10-19-12(7-17)14(20)8-18/h4,6,10,13H,2-3,5,9H2,1H3
InChIKeyGSMDRMOQGGXHJW-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.22
Rot. Bonds3

About 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile

1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile (PubChem CID 86794613) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile
PubChem CID86794613
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile
SMILESCCC1c2ccsc2CCN1C(=O)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C16H15N5OS/c1-2-13-11-4-6-23-15(11)3-5-21(13)16(22)9-20-10-19-12(7-17)14(20)8-18/h4,6,10,13H,2-3,5,9H2,1H3
InChIKeyGSMDRMOQGGXHJW-UHFFFAOYSA-N
XLogP2.22
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile with MolForge

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Related Compounds

1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile
CID 136548222
3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-8-methylquinazolin-4-one
CID 51270851
3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 99844073
2-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 126766696
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
CID 95580804
ethyl 3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 112805511
(2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119914171
N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 112805599
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 78827910

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile (CID 86794613) is 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile is CCC1c2ccsc2CCN1C(=O)Cn1cnc(C#N)c1C#N.
What is the InChIKey of 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile?
The InChIKey is GSMDRMOQGGXHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-2-13-11-4-6-23-15(11)3-5-21(13)16(22)9-20-10-19-12(7-17)14(20)8-18/h4,6,10,13H,2-3,5,9H2,1H3.
What are the key properties of 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile?
1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile has a molecular weight of 325.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 86794613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).