(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one

C16H10BrClN2OS — CID 16633317

IUPAC(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H10BrClN2OS/c17-11-3-1-2-10(8-11)9-14-15(21)20(16(19)22-14)13-6-4-12(18)5-7-13/h1-9,19H/b14-9-,19-16-
InChIKeyATQZNPBDZPIWBZ-MXOJYHIHSA-N
MW393.69 g/mol
LogP5.16
Rot. Bonds2

About (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one

(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 16633317) has the molecular formula C16H10BrClN2OS and a molecular weight of 393.69 g/mol. Its IUPAC name is (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID16633317
Molecular FormulaC16H10BrClN2OS
Molecular Weight393.69 g/mol
Exact Mass391.94
IUPAC Name(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H10BrClN2OS/c17-11-3-1-2-10(8-11)9-14-15(21)20(16(19)22-14)13-6-4-12(18)5-7-13/h1-9,19H/b14-9-,19-16-
InChIKeyATQZNPBDZPIWBZ-MXOJYHIHSA-N
XLogP5.16
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.69
LogP ≤ 55.16
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

(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
4-[(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 18824600
(5Z)-5-benzylidene-3-(3,4-dichlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633608
(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16633301
3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2861714
(5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 16633173
(5Z)-3-(4-chlorophenyl)-2-imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16633322
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840496
(5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16633628
(5Z)-2-imino-3-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16797927

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one (CID 16633317) is (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is ATQZNPBDZPIWBZ-MXOJYHIHSA-N. The full InChI is InChI=1S/C16H10BrClN2OS/c17-11-3-1-2-10(8-11)9-14-15(21)20(16(19)22-14)13-6-4-12(18)5-7-13/h1-9,19H/b14-9-,19-16-.
What are the key properties of (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 393.69 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).