4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

C18H17N3O4S2 — CID 162668973

IUPAC4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1
InChIInChI=1S/C18H17N3O4S2/c1-25-14-5-8-17(22)13(9-14)10-19-21-18-20-16(11-26-18)12-3-6-15(7-4-12)27(2,23)24/h3-11,22H,1-2H3,(H,20,21)/b19-10+
InChIKeyWIYQKOSNHXVUKK-VXLYETTFSA-N
MW403.49 g/mol
LogP3.37
Rot. Bonds6

About 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 162668973) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID162668973
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1
InChIInChI=1S/C18H17N3O4S2/c1-25-14-5-8-17(22)13(9-14)10-19-21-18-20-16(11-26-18)12-3-6-15(7-4-12)27(2,23)24/h3-11,22H,1-2H3,(H,20,21)/b19-10+
InChIKeyWIYQKOSNHXVUKK-VXLYETTFSA-N
XLogP3.37
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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
(E)-4-(2-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)thiazol-4-yl)-N,N-dimethylbenzenesulfonamide
CID 135650114
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 9648910
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-cyclohexylidenehydrazine
CID 49863607
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(2-methylcyclohexylidene)hydrazine
CID 49863635
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine
CID 49863636
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-2-(4-methylcyclohexylidene)hydrazine
CID 49863637
4-(3-methoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 49863679
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 162668973) is 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is COc1ccc(O)c(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c1.
What is the InChIKey of 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is WIYQKOSNHXVUKK-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-25-14-5-8-17(22)13(9-14)10-19-21-18-20-16(11-26-18)12-3-6-15(7-4-12)27(2,23)24/h3-11,22H,1-2H3,(H,20,21)/b19-10+.
What are the key properties of 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 403.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 162668973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).