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

C11H8BrN3O2S — CID 135576787

IUPAC(2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide
SMILESNC(=O)/C(=N\O)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H8BrN3O2S/c12-7-3-1-6(2-4-7)8-5-18-11(14-8)9(15-17)10(13)16/h1-5,17H,(H2,13,16)/b15-9+
InChIKeyMPDAZROITWSXCC-OQLLNIDSSA-N
MW326.18 g/mol
LogP2.24
Rot. Bonds3

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

(2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide (PubChem CID 135576787) has the molecular formula C11H8BrN3O2S and a molecular weight of 326.18 g/mol. Its IUPAC name is (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide
PubChem CID135576787
Molecular FormulaC11H8BrN3O2S
Molecular Weight326.18 g/mol
Exact Mass324.95
IUPAC Name(2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide
SMILESNC(=O)/C(=N\O)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H8BrN3O2S/c12-7-3-1-6(2-4-7)8-5-18-11(14-8)9(15-17)10(13)16/h1-5,17H,(H2,13,16)/b15-9+
InChIKeyMPDAZROITWSXCC-OQLLNIDSSA-N
XLogP2.24
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 560765
CID 560765
CID 1079159
CID 1079159
CID 151976649
CID 151976649
CID 737186
CID 737186
CID 2790620
CID 2790620
CID 1482076
CID 1482076
CID 44349504
CID 44349504
CID 44349740
CID 44349740
CID 44349782
CID 44349782
CID 155518248
CID 155518248
CID 712446
CID 712446
CID 189879
CID 189879

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide (CID 135576787) is (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide is NC(=O)/C(=N\O)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide?
The InChIKey is MPDAZROITWSXCC-OQLLNIDSSA-N. The full InChI is InChI=1S/C11H8BrN3O2S/c12-7-3-1-6(2-4-7)8-5-18-11(14-8)9(15-17)10(13)16/h1-5,17H,(H2,13,16)/b15-9+.
What are the key properties of (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide?
(2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-hydroxyiminoacetamide has a molecular weight of 326.18 g/mol, XLogP of 2.24, 3 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]-2-hydroxyiminoacetamide is sourced from PubChem (CID 135576787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).