5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C21H21F2N3O3S — CID 112805567

IUPAC5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCC1c2ccsc2CCN1C(=O)CN1C(=O)NC(C)(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C21H21F2N3O3S/c1-3-16-13-7-9-30-17(13)6-8-25(16)18(27)11-26-19(28)21(2,24-20(26)29)14-10-12(22)4-5-15(14)23/h4-5,7,9-10,16H,3,6,8,11H2,1-2H3,(H,24,29)
InChIKeyKUCQGPJOJVBVPY-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.33
Rot. Bonds4

About 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 112805567) has the molecular formula C21H21F2N3O3S and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID112805567
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC Name5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCC1c2ccsc2CCN1C(=O)CN1C(=O)NC(C)(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C21H21F2N3O3S/c1-3-16-13-7-9-30-17(13)6-8-25(16)18(27)11-26-19(28)21(2,24-20(26)29)14-10-12(22)4-5-15(14)23/h4-5,7,9-10,16H,3,6,8,11H2,1-2H3,(H,24,29)
InChIKeyKUCQGPJOJVBVPY-UHFFFAOYSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

5-(2,4-dichlorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 112805073
methyl 1-[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 7801396
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
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
ethyl 1-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 55374775
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
5-methyl-3-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55428506
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 51191064
(5R)-5-(2,5-difluorophenyl)-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8597585
5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24598024

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 112805567) is 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CCC1c2ccsc2CCN1C(=O)CN1C(=O)NC(C)(c2cc(F)ccc2F)C1=O.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is KUCQGPJOJVBVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S/c1-3-16-13-7-9-30-17(13)6-8-25(16)18(27)11-26-19(28)21(2,24-20(26)29)14-10-12(22)4-5-15(14)23/h4-5,7,9-10,16H,3,6,8,11H2,1-2H3,(H,24,29).
What are the key properties of 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 433.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 112805567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).