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

C15H10BrN3OS — CID 135504595

IUPAC(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1ccncc1
InChIInChI=1S/C15H10BrN3OS/c16-11-1-3-12(4-2-11)18-15-19-14(20)13(21-15)9-10-5-7-17-8-6-10/h1-9H,(H,18,19,20)/b13-9-
InChIKeyGKASPBXQMGBJPS-LCYFTJDESA-N
MW360.24 g/mol
LogP3.74
Rot. Bonds2

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

(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135504595) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135504595
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC Name(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1ccncc1
InChIInChI=1S/C15H10BrN3OS/c16-11-1-3-12(4-2-11)18-15-19-14(20)13(21-15)9-10-5-7-17-8-6-10/h1-9H,(H,18,19,20)/b13-9-
InChIKeyGKASPBXQMGBJPS-LCYFTJDESA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135461464
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
4-[[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135886653
(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135781935
5-[(4-bromophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500656
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135782014
(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135761059
methyl 4-[(Z)-[2-(4-bromophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135426200
methyl 4-[[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135642729
2-(4-bromophenyl)imino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135525046
(5E)-2-(4-bromophenyl)imino-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135765206
(5Z)-2-(4-bromophenyl)imino-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135748215

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 135504595) is (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1ccncc1.
What is the InChIKey of (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is GKASPBXQMGBJPS-LCYFTJDESA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-11-1-3-12(4-2-11)18-15-19-14(20)13(21-15)9-10-5-7-17-8-6-10/h1-9H,(H,18,19,20)/b13-9-.
What are the key properties of (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-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 (5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135504595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).