(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

C15H10BrN3OS — CID 135781935

IUPAC(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccccn1
InChIInChI=1S/C15H10BrN3OS/c16-10-4-6-11(7-5-10)18-15-19-14(20)13(21-15)9-12-3-1-2-8-17-12/h1-9H,(H,18,19,20)/b13-9+
InChIKeyBEGDHNXENGSYAE-UKTHLTGXSA-N
MW360.24 g/mol
LogP3.74
Rot. Bonds2

About (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135781935) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135781935
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC Name(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccccn1
InChIInChI=1S/C15H10BrN3OS/c16-10-4-6-11(7-5-10)18-15-19-14(20)13(21-15)9-12-3-1-2-8-17-12/h1-9H,(H,18,19,20)/b13-9+
InChIKeyBEGDHNXENGSYAE-UKTHLTGXSA-N
XLogP3.74
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135935122
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834865
(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135504595
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
(5Z)-2-(2,5-dimethylphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834908
(5E)-2-(4-bromophenyl)imino-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063676
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135782014
2-(4-bromophenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135463852
(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135761059
2-[2-[(Z)-[2-(4-bromophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 135627102
(5Z)-2-(4-bromophenyl)imino-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 137044561
(5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135529219

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135781935) is (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccccn1.
What is the InChIKey of (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is BEGDHNXENGSYAE-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-10-4-6-11(7-5-10)18-15-19-14(20)13(21-15)9-12-3-1-2-8-17-12/h1-9H,(H,18,19,20)/b13-9+.
What are the key properties of (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 360.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135781935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).