(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C14H16Br2N2O2S — CID 126214462

IUPAC(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\S/C(=C/c2cc(Br)c(Br)o2)C(=O)N1C(C)C
InChIInChI=1S/C14H16Br2N2O2S/c1-7(2)17-14-18(8(3)4)13(19)11(21-14)6-9-5-10(15)12(16)20-9/h5-8H,1-4H3/b11-6+,17-14-
InChIKeyBKBQFZHDSNXMQR-NCZFNZNSSA-N
MW436.17 g/mol
LogP4.89
Rot. Bonds3

About (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one

(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 126214462) has the molecular formula C14H16Br2N2O2S and a molecular weight of 436.17 g/mol. Its IUPAC name is (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID126214462
Molecular FormulaC14H16Br2N2O2S
Molecular Weight436.17 g/mol
Exact Mass433.93
IUPAC Name(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\S/C(=C/c2cc(Br)c(Br)o2)C(=O)N1C(C)C
InChIInChI=1S/C14H16Br2N2O2S/c1-7(2)17-14-18(8(3)4)13(19)11(21-14)6-9-5-10(15)12(16)20-9/h5-8H,1-4H3/b11-6+,17-14-
InChIKeyBKBQFZHDSNXMQR-NCZFNZNSSA-N
XLogP4.89
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.17
LogP ≤ 54.89
H-Bond Donors ≤ 50
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

(5E)-5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126217895
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126221644
2-chloro-5-[5-[(Z)-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 126205575
(5E)-5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126217588
(5E)-5-[[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126215187
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126217318
2-chloro-4-[5-[(E)-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 126209686
(5E)-5-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126217057
(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 6144921
methyl 2-[4-bromo-2-[(E)-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 126209069
(5E)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126209671
(5E)-5-[[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 126214125

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 126214462) is (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1\S/C(=C/c2cc(Br)c(Br)o2)C(=O)N1C(C)C.
What is the InChIKey of (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is BKBQFZHDSNXMQR-NCZFNZNSSA-N. The full InChI is InChI=1S/C14H16Br2N2O2S/c1-7(2)17-14-18(8(3)4)13(19)11(21-14)6-9-5-10(15)12(16)20-9/h5-8H,1-4H3/b11-6+,17-14-.
What are the key properties of (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 436.17 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4,5-dibromofuran-2-yl)methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).