(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H14BrN5OS — CID 146000127

IUPAC(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1
InChIInChI=1S/C19H14BrN5OS/c20-15-8-6-13(7-9-15)18-14(10-21-23-19-22-17(26)12-27-19)11-25(24-18)16-4-2-1-3-5-16/h1-11H,12H2,(H,22,23,26)/b21-10-
InChIKeyWFPMYCBPVMDNJN-FBHDLOMBSA-N
MW440.33 g/mol
LogP3.85
Rot. Bonds4

About (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 146000127) has the molecular formula C19H14BrN5OS and a molecular weight of 440.33 g/mol. Its IUPAC name is (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID146000127
Molecular FormulaC19H14BrN5OS
Molecular Weight440.33 g/mol
Exact Mass439.01
IUPAC Name(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1
InChIInChI=1S/C19H14BrN5OS/c20-15-8-6-13(7-9-15)18-14(10-21-23-19-22-17(26)12-27-19)11-25(24-18)16-4-2-1-3-5-16/h1-11H,12H2,(H,22,23,26)/b21-10-
InChIKeyWFPMYCBPVMDNJN-FBHDLOMBSA-N
XLogP3.85
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
(2E)-2-[[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135718431
1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021
2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576053
2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135447495
(E)-N-[(E)-[1,3-bis(4-methylphenyl)pyrazol-4-yl]methylideneamino]-4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-imine
CID 118734039
(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135995765
5-[(2-chlorophenyl)methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135460874
N-(4-bromophenyl)-N'-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 6014809
2-(benzylidenehydrazinylidene)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 135413169
(2E)-2-[(E)-(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135712280

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 146000127) is (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1.
What is the InChIKey of (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is WFPMYCBPVMDNJN-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H14BrN5OS/c20-15-8-6-13(7-9-15)18-14(10-21-23-19-22-17(26)12-27-19)11-25(24-18)16-4-2-1-3-5-16/h1-11H,12H2,(H,22,23,26)/b21-10-.
What are the key properties of (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 440.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 146000127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).