2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

C18H17N3O4S2 — CID 162659125

IUPAC2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1O
InChIInChI=1S/C18H17N3O4S2/c1-25-17-8-3-12(9-16(17)22)10-19-21-18-20-15(11-26-18)13-4-6-14(7-5-13)27(2,23)24/h3-11,22H,1-2H3,(H,20,21)/b19-10+
InChIKeyWFKVQXPBQFZREB-VXLYETTFSA-N
MW403.49 g/mol
LogP3.37
Rot. Bonds6

About 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 162659125) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID162659125
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1O
InChIInChI=1S/C18H17N3O4S2/c1-25-17-8-3-12(9-16(17)22)10-19-21-18-20-15(11-26-18)13-4-6-14(7-5-13)27(2,23)24/h3-11,22H,1-2H3,(H,20,21)/b19-10+
InChIKeyWFKVQXPBQFZREB-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': '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
4-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-2-methoxyphenol
CID 135576406
(E)-5-((2-(Benzo[d]thiazol-2-yl)hydrazono)methyl)-2-methoxyphenol
CID 9642984
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
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 162659125) is 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is COc1ccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1O.
What is the InChIKey of 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is WFKVQXPBQFZREB-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-25-17-8-3-12(9-16(17)22)10-19-21-18-20-15(11-26-18)13-4-6-14(7-5-13)27(2,23)24/h3-11,22H,1-2H3,(H,20,21)/b19-10+.
What are the key properties of 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2-methoxy-5-[(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 2-methoxy-5-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 162659125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).