1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone

C19H16F2N2O3S — CID 42634516

IUPAC1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)S(=O)(=O)C12CCCc1ccccc12
InChIInChI=1S/C19H16F2N2O3S/c1-12(24)23-19(10-4-6-13-5-2-3-7-16(13)19)27(25,26)18(22-23)15-11-14(20)8-9-17(15)21/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyZPLNRMQFQBRNAV-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.09
Rot. Bonds1

About 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone

1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone (PubChem CID 42634516) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
PubChem CID42634516
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC Name1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)S(=O)(=O)C12CCCc1ccccc12
InChIInChI=1S/C19H16F2N2O3S/c1-12(24)23-19(10-4-6-13-5-2-3-7-16(13)19)27(25,26)18(22-23)15-11-14(20)8-9-17(15)21/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyZPLNRMQFQBRNAV-UHFFFAOYSA-N
XLogP3.09
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]ethanone
CID 58274814
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2,2,2-trifluoroethanone
CID 58274922
cyclopropyl-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]methanone
CID 58274749
1-[5-(2,5-difluorophenyl)-3'-ethylspiro[1,3,4-oxadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone
CID 143803163
[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-(1-methylpiperidin-4-yl)methanone
CID 42634353
1-[5-(2,5-difluorophenyl)-1',1'-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydrothiochromene]-3-yl]ethanone
CID 58274715
1-[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-2-hydroxypropan-1-one
CID 76751949
[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-[(2S)-piperidin-2-yl]methanone
CID 42633995
1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one
CID 71011325
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,7'-5,6-dihydro-4H-1-benzothiophene]-3-yl]ethanone;[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-piperidin-3-ylmethanone
CID 123924408
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone
CID 58274622
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-quinoline]-3-yl]ethanone
CID 58274876

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone (CID 42634516) is 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone is CC(=O)N1N=C(c2cc(F)ccc2F)S(=O)(=O)C12CCCc1ccccc12.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone?
The InChIKey is ZPLNRMQFQBRNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c1-12(24)23-19(10-4-6-13-5-2-3-7-16(13)19)27(25,26)18(22-23)15-11-14(20)8-9-17(15)21/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone?
1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone has a molecular weight of 390.41 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-1,1-dioxospiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]ethanone is sourced from PubChem (CID 42634516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).