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

C17H13BrN2O2S — CID 135463935

IUPAC2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C=C1S/C(=N\c2ccccc2Br)NC1=O
InChIInChI=1S/C17H13BrN2O2S/c1-22-14-9-5-2-6-11(14)10-15-16(21)20-17(23-15)19-13-8-4-3-7-12(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyPIPOKGPEFQCFDK-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.35
Rot. Bonds3

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

2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135463935) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135463935
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC Name2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C=C1S/C(=N\c2ccccc2Br)NC1=O
InChIInChI=1S/C17H13BrN2O2S/c1-22-14-9-5-2-6-11(14)10-15-16(21)20-17(23-15)19-13-8-4-3-7-12(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyPIPOKGPEFQCFDK-UHFFFAOYSA-N
XLogP4.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.35
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-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486739
(5E)-5-[(2-methoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135736113
(5Z)-2-(4-hydroxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135529565
2-[2-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948194
5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486652
3-[[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135522733
5-[(2-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135502880
(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135535310
2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486744
(5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137089341
(5Z)-2-(4-butylphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522734
(5E)-5-[(2-bromo-3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135527202

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135463935) is 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccccc1C=C1S/C(=N\c2ccccc2Br)NC1=O.
What is the InChIKey of 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is PIPOKGPEFQCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c1-22-14-9-5-2-6-11(14)10-15-16(21)20-17(23-15)19-13-8-4-3-7-12(13)18/h2-10H,1H3,(H,19,20,21).
What are the key properties of 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 389.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135463935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).