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

C16H11BrCl2N2OS — CID 135473230

IUPAC2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Br)cc2)SC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11BrCl2N2OS/c17-10-2-4-11(5-3-10)20-16-21-15(22)14(23-16)8-9-1-6-12(18)13(19)7-9/h1-7,14H,8H2,(H,20,21,22)
InChIKeyMFFDKMQSIXVXRN-UHFFFAOYSA-N
MW430.15 g/mol
LogP5.22
Rot. Bonds3

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

2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135473230) has the molecular formula C16H11BrCl2N2OS and a molecular weight of 430.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135473230
Molecular FormulaC16H11BrCl2N2OS
Molecular Weight430.15 g/mol
Exact Mass427.92
IUPAC Name2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Br)cc2)SC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11BrCl2N2OS/c17-10-2-4-11(5-3-10)20-16-21-15(22)14(23-16)8-9-1-6-12(18)13(19)7-9/h1-7,14H,8H2,(H,20,21,22)
InChIKeyMFFDKMQSIXVXRN-UHFFFAOYSA-N
XLogP5.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.15
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-4-thiazolone
CID 135517128
5-(2,3-Dichloro-benzyl)-2-phenylimino-thiazolidin-4-one
CID 135414121
5-(4-Chlorobenzyl)-2-((4-chlorophenyl)imino)-1,3-thiazolidin-4-one
CID 135414218
2-(3-Chloro-phenylimino)-5-(2,3-dichloro-benzyl)-thiazolidin-4-one
CID 135510965
(Z)-5-(3-chlorobenzyl)-2-(phenylimino)thiazolidin-4-one
CID 135406356
(2Z)-5-(4-chlorobenzyl)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135414163
(E)-5-benzyl-2-((4-bromophenyl)imino)thiazolidin-4-one
CID 135414169
(2E)-2-[(4-bromophenyl)imino]-5-(3-methylbenzyl)-1,3-thiazolidin-4-one
CID 135495495
(2E)-5-(3-chlorobenzyl)-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
CID 135455701
(E)-5-(4-chlorobenzyl)-2-((4-fluorophenyl)imino)thiazolidin-4-one
CID 135416189
(2E)-2-[(3,4-dichlorophenyl)imino]-5-(4-fluorobenzyl)-1,3-thiazolidin-4-one
CID 135459615
(2E)-5-(2,3-dichlorobenzyl)-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
CID 135520946

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135473230) is 2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Br)cc2)SC1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is MFFDKMQSIXVXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N2OS/c17-10-2-4-11(5-3-10)20-16-21-15(22)14(23-16)8-9-1-6-12(18)13(19)7-9/h1-7,14H,8H2,(H,20,21,22).
What are the key properties of 2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-bromophenyl)imino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 430.15 g/mol, XLogP of 5.22, 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-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).