(5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C18H13BrN2OS — CID 135642608

IUPAC(5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(Br)c2)S/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13BrN2OS/c19-14-9-5-10-15(12-14)20-18-21-17(22)16(23-18)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,20,21,22)/b8-4+,16-11-
InChIKeyJAGHDQDZHGGAMI-MAHQCVNESA-N
MW385.29 g/mol
LogP4.90
Rot. Bonds3

About (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135642608) has the molecular formula C18H13BrN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135642608
Molecular FormulaC18H13BrN2OS
Molecular Weight385.29 g/mol
Exact Mass383.99
IUPAC Name(5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(Br)c2)S/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13BrN2OS/c19-14-9-5-10-15(12-14)20-18-21-17(22)16(23-18)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,20,21,22)/b8-4+,16-11-
InChIKeyJAGHDQDZHGGAMI-MAHQCVNESA-N
XLogP4.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[[(5Z)-4-oxo-5-[(Z)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 137166110
(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501423
(5Z)-2-(3-bromophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137064982
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
5-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135523188
5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(3-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135515725
3-[[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135670358
4-methyl-3-[[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135765921
2-(3-bromophenyl)imino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135436073
5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135485236
(5E)-5-[(3-bromophenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404457

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135642608) is (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\C=C\c1ccccc1.
What is the InChIKey of (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is JAGHDQDZHGGAMI-MAHQCVNESA-N. The full InChI is InChI=1S/C18H13BrN2OS/c19-14-9-5-10-15(12-14)20-18-21-17(22)16(23-18)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,20,21,22)/b8-4+,16-11-.
What are the key properties of (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 385.29 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135642608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).