(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

C24H19BrN2O3S — CID 2262168

IUPAC(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(Br)c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C24H19BrN2O3S/c1-29-20-13-16(19(25)15-21(20)30-2)14-22-23(28)27(18-11-7-4-8-12-18)24(31-22)26-17-9-5-3-6-10-17/h3-15H,1-2H3/b22-14+,26-24-
InChIKeyHPLRRNSDOTUINU-DDOPLPCHSA-N
MW495.40 g/mol
LogP6.27
Rot. Bonds5

About (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 2262168) has the molecular formula C24H19BrN2O3S and a molecular weight of 495.40 g/mol. Its IUPAC name is (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID2262168
Molecular FormulaC24H19BrN2O3S
Molecular Weight495.40 g/mol
Exact Mass494.03
IUPAC Name(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(Br)c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C24H19BrN2O3S/c1-29-20-13-16(19(25)15-21(20)30-2)14-22-23(28)27(18-11-7-4-8-12-18)24(31-22)26-17-9-5-3-6-10-17/h3-15H,1-2H3/b22-14+,26-24-
InChIKeyHPLRRNSDOTUINU-DDOPLPCHSA-N
XLogP6.27
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.40
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4162355
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
(5Z)-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126238133
(5E)-5-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126093328
5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3260722
5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 1233191
3-[[(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6163322
5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 2858828
(5Z)-5-[[3-methoxy-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126342809
5-[[4-hydroxy-3-(hydroxymethyl)-5-methoxyphenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 76659779
(5E)-5-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126085957
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 22305747

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 2262168) is (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is COc1cc(Br)c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is HPLRRNSDOTUINU-DDOPLPCHSA-N. The full InChI is InChI=1S/C24H19BrN2O3S/c1-29-20-13-16(19(25)15-21(20)30-2)14-22-23(28)27(18-11-7-4-8-12-18)24(31-22)26-17-9-5-3-6-10-17/h3-15H,1-2H3/b22-14+,26-24-.
What are the key properties of (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 495.40 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 2262168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).