(2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol

C23H18BrN3OS — CID 46881085

IUPAC(2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol
SMILESOC(/C(=N/Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18BrN3OS/c24-19-13-11-16(12-14-19)20-15-29-23(25-20)27-26-21(17-7-3-1-4-8-17)22(28)18-9-5-2-6-10-18/h1-15,22,28H,(H,25,27)/b26-21+
InChIKeyVQGTYVOTCLTWQI-YYADALCUSA-N
MW464.39 g/mol
LogP6.12
Rot. Bonds6

About (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol

(2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol (PubChem CID 46881085) has the molecular formula C23H18BrN3OS and a molecular weight of 464.39 g/mol. Its IUPAC name is (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol.

Molecular Properties

Compound Name(2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol
PubChem CID46881085
Molecular FormulaC23H18BrN3OS
Molecular Weight464.39 g/mol
Exact Mass463.04
IUPAC Name(2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol
SMILESOC(/C(=N/Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18BrN3OS/c24-19-13-11-16(12-14-19)20-15-29-23(25-20)27-26-21(17-7-3-1-4-8-17)22(28)18-9-5-2-6-10-18/h1-15,22,28H,(H,25,27)/b26-21+
InChIKeyVQGTYVOTCLTWQI-YYADALCUSA-N
XLogP6.12
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol?
The IUPAC name of (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol (CID 46881085) is (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol.
What is the SMILES notation for (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol?
The canonical SMILES for (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol is OC(/C(=N/Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol?
The InChIKey is VQGTYVOTCLTWQI-YYADALCUSA-N. The full InChI is InChI=1S/C23H18BrN3OS/c24-19-13-11-16(12-14-19)20-15-29-23(25-20)27-26-21(17-7-3-1-4-8-17)22(28)18-9-5-2-6-10-18/h1-15,22,28H,(H,25,27)/b26-21+.
What are the key properties of (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol?
(2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol has a molecular weight of 464.39 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol is sourced from PubChem (CID 46881085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).