5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione

C15H11BrN2O2S — CID 3123235

IUPAC5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2ccccc2Br)C(=O)N1c1ccccc1
InChIInChI=1S/C15H11BrN2O2S/c16-11-8-4-5-9-12(11)17-13-14(19)18(15(20)21-13)10-6-2-1-3-7-10/h1-9,13,17H
InChIKeyNTSAMQATWIBDFT-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.09
Rot. Bonds3

About 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione

5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 3123235) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID3123235
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2ccccc2Br)C(=O)N1c1ccccc1
InChIInChI=1S/C15H11BrN2O2S/c16-11-8-4-5-9-12(11)17-13-14(19)18(15(20)21-13)10-6-2-1-3-7-10/h1-9,13,17H
InChIKeyNTSAMQATWIBDFT-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (CID 3123235) is 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is O=C1SC(Nc2ccccc2Br)C(=O)N1c1ccccc1.
What is the InChIKey of 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is NTSAMQATWIBDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-11-8-4-5-9-12(11)17-13-14(19)18(15(20)21-13)10-6-2-1-3-7-10/h1-9,13,17H.
What are the key properties of 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 363.24 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3123235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).