(2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

C13H9BrN4OS2 — CID 171345910

IUPAC(2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1nnc(/N=C2\NC(=O)/C(=C/c3ccc(Br)cc3)S2)s1
InChIInChI=1S/C13H9BrN4OS2/c1-7-17-18-13(20-7)16-12-15-11(19)10(21-12)6-8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,18,19)/b10-6-
InChIKeyFGJSZSWCRGILQE-POHAHGRESA-N
MW381.28 g/mol
LogP3.50
Rot. Bonds2

About (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 171345910) has the molecular formula C13H9BrN4OS2 and a molecular weight of 381.28 g/mol. Its IUPAC name is (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID171345910
Molecular FormulaC13H9BrN4OS2
Molecular Weight381.28 g/mol
Exact Mass379.94
IUPAC Name(2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1nnc(/N=C2\NC(=O)/C(=C/c3ccc(Br)cc3)S2)s1
InChIInChI=1S/C13H9BrN4OS2/c1-7-17-18-13(20-7)16-12-15-11(19)10(21-12)6-8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,18,19)/b10-6-
InChIKeyFGJSZSWCRGILQE-POHAHGRESA-N
XLogP3.50
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-[(4-bromophenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135500656
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
(5Z)-5-[(4-bromophenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135421066
(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135504595
2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834518
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
(5Z)-5-[(4-bromophenyl)methylidene]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1,3-thiazolidin-4-one
CID 135527183
2-[[5-(2-chloro-6-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 155819106
(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135592707
5-[[4-(dimethylamino)phenyl]methylidene]-2-[[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
CID 155819092
5-[(3,4-dimethoxyphenyl)methylidene]-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
CID 155819115

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 171345910) is (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is Cc1nnc(/N=C2\NC(=O)/C(=C/c3ccc(Br)cc3)S2)s1.
What is the InChIKey of (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is FGJSZSWCRGILQE-POHAHGRESA-N. The full InChI is InChI=1S/C13H9BrN4OS2/c1-7-17-18-13(20-7)16-12-15-11(19)10(21-12)6-8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,18,19)/b10-6-.
What are the key properties of (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 381.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(4-bromophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 171345910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).