2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one

C17H15BrN2OS — CID 135495495

IUPAC2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2S/C(=N\c3ccc(Br)cc3)NC2=O)c1
InChIInChI=1S/C17H15BrN2OS/c1-11-3-2-4-12(9-11)10-15-16(21)20-17(22-15)19-14-7-5-13(18)6-8-14/h2-9,15H,10H2,1H3,(H,19,20,21)
InChIKeyKKGUJSQIPFKPKN-UHFFFAOYSA-N
MW375.29 g/mol
LogP4.22
Rot. Bonds3

About 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one

2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135495495) has the molecular formula C17H15BrN2OS and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135495495
Molecular FormulaC17H15BrN2OS
Molecular Weight375.29 g/mol
Exact Mass374.01
IUPAC Name2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2S/C(=N\c3ccc(Br)cc3)NC2=O)c1
InChIInChI=1S/C17H15BrN2OS/c1-11-3-2-4-12(9-11)10-15-16(21)20-17(22-15)19-14-7-5-13(18)6-8-14/h2-9,15H,10H2,1H3,(H,19,20,21)
InChIKeyKKGUJSQIPFKPKN-UHFFFAOYSA-N
XLogP4.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 135495495) is 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1cccc(CC2S/C(=N\c3ccc(Br)cc3)NC2=O)c1.
What is the InChIKey of 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is KKGUJSQIPFKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2OS/c1-11-3-2-4-12(9-11)10-15-16(21)20-17(22-15)19-14-7-5-13(18)6-8-14/h2-9,15H,10H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 375.29 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)imino-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135495495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).