4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol

C16H11N3O3S — CID 135505166

IUPAC4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C16H11N3O3S/c20-15-7-6-13(19(21)22)8-12(15)9-17-16-18-14(10-23-16)11-4-2-1-3-5-11/h1-10,20H/b17-9+
InChIKeyWEHOGRSUNLNPPI-RQZCQDPDSA-N
MW325.35 g/mol
LogP4.17
Rot. Bonds4

About 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol

4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol (PubChem CID 135505166) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
PubChem CID135505166
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C16H11N3O3S/c20-15-7-6-13(19(21)22)8-12(15)9-17-16-18-14(10-23-16)11-4-2-1-3-5-11/h1-10,20H/b17-9+
InChIKeyWEHOGRSUNLNPPI-RQZCQDPDSA-N
XLogP4.17
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol 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

4-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 5137408
bis(4-bromo-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);nickel
CID 135539795
bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);zinc
CID 135539792
cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
CID 5225465
2-(1,3-benzothiazol-2-yliminomethyl)-4-nitrophenol
CID 584602
cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate
CID 138395289
5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135489146
2-[(1,3-diphenylpyrazol-5-yl)iminomethyl]-4-nitrophenol
CID 4520619
(E)-N-[4-(9-chloro-7-nitroacridin-2-yl)-1,3-thiazol-2-yl]-1-(3-nitrophenyl)methanimine
CID 25019254
1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 23967821
nickel(2+);bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate)
CID 170905301
5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
CID 176513821

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol?
The IUPAC name of 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol (CID 135505166) is 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol?
The InChIKey is WEHOGRSUNLNPPI-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-15-7-6-13(19(21)22)8-12(15)9-17-16-18-14(10-23-16)11-4-2-1-3-5-11/h1-10,20H/b17-9+.
What are the key properties of 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol?
4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol has a molecular weight of 325.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 135505166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).