5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione

C19H13FN2O2S — CID 3446267

IUPAC5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2ccc(F)cc2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C19H13FN2O2S/c20-13-8-10-14(11-9-13)21-17-18(23)22(19(24)25-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,21H
InChIKeyKGSQOZOSPBHWNX-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.62
Rot. Bonds3

About 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione

5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione (PubChem CID 3446267) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
PubChem CID3446267
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2ccc(F)cc2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C19H13FN2O2S/c20-13-8-10-14(11-9-13)21-17-18(23)22(19(24)25-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,21H
InChIKeyKGSQOZOSPBHWNX-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide
CID 2604436
ST032473
CID 588601
5-(Naphthalen-1-ylamino)-thiazolidine-2,4-dione
CID 3155755
N-Naphthalen-1-yl-2-phenylamino-acetamide
CID 767556
N-(2-Fluoro-phenyl)-N'-naphthalen-1-yl-oxalamide
CID 3220617
N-(2-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide
CID 17424558
(4R)-2-(4-acetamidophenyl)-N-anthracen-2-yl-1,3-thiazolidine-4-carboxamide
CID 46231826
N-(3-fluorophenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]acetamide
CID 2465272
8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 123701508
8-cyclopropyl-N-(2-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 123794473
8-cyclopropyl-N-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 123830494
8-cyclopropyl-N-(3-fluorophenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 123941923

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione (CID 3446267) is 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione is O=C1SC(Nc2ccc(F)cc2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is KGSQOZOSPBHWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-13-8-10-14(11-9-13)21-17-18(23)22(19(24)25-17)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,21H.
What are the key properties of 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione?
5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 352.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3446267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).