3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione

C19H13BrN2O2S — CID 3120494

IUPAC3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2cccc3ccccc23)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C19H13BrN2O2S/c20-13-8-10-14(11-9-13)22-18(23)17(25-19(22)24)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,21H
InChIKeyFDPMIJVTHOGNQQ-UHFFFAOYSA-N
MW413.30 g/mol
LogP5.24
Rot. Bonds3

About 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione

3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione (PubChem CID 3120494) has the molecular formula C19H13BrN2O2S and a molecular weight of 413.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
PubChem CID3120494
Molecular FormulaC19H13BrN2O2S
Molecular Weight413.30 g/mol
Exact Mass411.99
IUPAC Name3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2cccc3ccccc23)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C19H13BrN2O2S/c20-13-8-10-14(11-9-13)22-18(23)17(25-19(22)24)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,21H
InChIKeyFDPMIJVTHOGNQQ-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_E(1)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione (CID 3120494) is 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione is O=C1SC(Nc2cccc3ccccc23)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione?
The InChIKey is FDPMIJVTHOGNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2S/c20-13-8-10-14(11-9-13)22-18(23)17(25-19(22)24)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,21H.
What are the key properties of 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione?
3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione has a molecular weight of 413.30 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3120494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).