(5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

C10H6Br2N2O2S — CID 6296555

IUPAC(5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/c2cc(Br)cc(Br)c2O)S1
InChIInChI=1S/C10H6Br2N2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(13)17-7/h1-3,15H,(H2,13,14,16)/b7-2-
InChIKeyGEGZEZZILCEFHB-UQCOIBPSSA-N
MW378.05 g/mol
LogP2.85
Rot. Bonds1

About (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

(5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 6296555) has the molecular formula C10H6Br2N2O2S and a molecular weight of 378.05 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID6296555
Molecular FormulaC10H6Br2N2O2S
Molecular Weight378.05 g/mol
Exact Mass375.85
IUPAC Name(5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C/c2cc(Br)cc(Br)c2O)S1
InChIInChI=1S/C10H6Br2N2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(13)17-7/h1-3,15H,(H2,13,14,16)/b7-2-
InChIKeyGEGZEZZILCEFHB-UQCOIBPSSA-N
XLogP2.85
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.05
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (CID 6296555) is (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is NC1=NC(=O)/C(=C/c2cc(Br)cc(Br)c2O)S1.
What is the InChIKey of (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is GEGZEZZILCEFHB-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H6Br2N2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(13)17-7/h1-3,15H,(H2,13,14,16)/b7-2-.
What are the key properties of (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 378.05 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 6296555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).