4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide

C18H18N4O3S2 — CID 135548673

IUPAC4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)16-9-5-14(6-10-16)17-12-26-18(20-17)21-19-11-13-3-7-15(23)8-4-13/h3-12,23H,1-2H3,(H,20,21)/b19-11+
InChIKeyGZNPUNBLLSKMIS-YBFXNURJSA-N
MW402.50 g/mol
LogP3.21
Rot. Bonds6

About 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide

4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 135548673) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID135548673
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)16-9-5-14(6-10-16)17-12-26-18(20-17)21-19-11-13-3-7-15(23)8-4-13/h3-12,23H,1-2H3,(H,20,21)/b19-11+
InChIKeyGZNPUNBLLSKMIS-YBFXNURJSA-N
XLogP3.21
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide 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

(E)-4-(2-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)thiazol-4-yl)-N,N-dimethylbenzenesulfonamide
CID 135650114
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 2400649
N-[4-(4-Hydroxy-3-methyl-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 10522547
3-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162655076
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 162659028
2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162659125
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 162663206
4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162668973
4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136961372
2-Hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135521784
2-[(E)-{2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135608306
4-[(E)-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135628745

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (CID 135548673) is 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GZNPUNBLLSKMIS-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)16-9-5-14(6-10-16)17-12-26-18(20-17)21-19-11-13-3-7-15(23)8-4-13/h3-12,23H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 402.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 135548673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).