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

C19H20N4O4S2 — CID 135650114

IUPAC4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O
InChIInChI=1S/C19H20N4O4S2/c1-23(2)29(25,26)15-7-5-14(6-8-15)16-12-28-19(21-16)22-20-11-13-4-9-17(24)18(10-13)27-3/h4-12,24H,1-3H3,(H,21,22)/b20-11+
InChIKeyOOTKKJMTOPHJRM-RGVLZGJSSA-N
MW432.53 g/mol
LogP3.22
Rot. Bonds7

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

4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 135650114) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID135650114
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O
InChIInChI=1S/C19H20N4O4S2/c1-23(2)29(25,26)15-7-5-14(6-8-15)16-12-28-19(21-16)22-20-11-13-4-9-17(24)18(10-13)27-3/h4-12,24H,1-3H3,(H,21,22)/b20-11+
InChIKeyOOTKKJMTOPHJRM-RGVLZGJSSA-N
XLogP3.22
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

4-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-N,N-dimethylbenzenesulfonamide
CID 135548673
4-[(2-hydroxy-3-methoxyphenyl)methylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 76317616
2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 9648910
4-(4-aminophenyl)-N-[(E)-[(E)-4-(3,4-dimethoxyphenyl)but-3-en-2-ylidene]amino]-1,3-thiazol-2-amine
CID 155524381
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
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 162670783
3,4-Dimethoxybenzaldehyde [4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazone
CID 6900726
(E)-2-Methoxy-5-((2-(4-(4-methoxyphenyl)thiazol-2-yl)-hydrazono)methyl)-phenol (20)
CID 91937816

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide (CID 135650114) is 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is COc1cc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O.
What is the InChIKey of 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OOTKKJMTOPHJRM-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-23(2)29(25,26)15-7-5-14(6-8-15)16-12-28-19(21-16)22-20-11-13-4-9-17(24)18(10-13)27-3/h4-12,24H,1-3H3,(H,21,22)/b20-11+.
What are the key properties of 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 135650114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).