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

C15H11BrN2O3S — CID 135519431

IUPAC5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)C(=Cc3ccc(Br)o3)S2)cc1
InChIInChI=1S/C15H11BrN2O3S/c1-20-10-4-2-9(3-5-10)17-15-18-14(19)12(22-15)8-11-6-7-13(16)21-11/h2-8H,1H3,(H,17,18,19)
InChIKeyVLTPJNKZNYIOKY-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.94
Rot. Bonds3

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

5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135519431) has the molecular formula C15H11BrN2O3S and a molecular weight of 379.24 g/mol. Its IUPAC name is 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135519431
Molecular FormulaC15H11BrN2O3S
Molecular Weight379.24 g/mol
Exact Mass377.97
IUPAC Name5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)C(=Cc3ccc(Br)o3)S2)cc1
InChIInChI=1S/C15H11BrN2O3S/c1-20-10-4-2-9(3-5-10)17-15-18-14(19)12(22-15)8-11-6-7-13(16)21-11/h2-8H,1H3,(H,17,18,19)
InChIKeyVLTPJNKZNYIOKY-UHFFFAOYSA-N
XLogP3.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-5-[(5-bromofuran-2-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136727980
5-[(5-bromofuran-2-yl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135486608
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135403842
5-[(5-bromofuran-2-yl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135523001
(5E)-5-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135563092
(5E)-5-[(5-bromothiophen-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135868145
5-[(2-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135502880
(5Z)-2-(4-methoxyphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782321
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 136689285
(5E)-5-[(5-bromofuran-2-yl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135563085
(5Z)-2-(4-ethoxyphenyl)imino-5-[(5-iodofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135439009
(5E)-2-(4-chlorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782250

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135519431) is 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)C(=Cc3ccc(Br)o3)S2)cc1.
What is the InChIKey of 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is VLTPJNKZNYIOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3S/c1-20-10-4-2-9(3-5-10)17-15-18-14(19)12(22-15)8-11-6-7-13(16)21-11/h2-8H,1H3,(H,17,18,19).
What are the key properties of 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 379.24 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromofuran-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135519431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).