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

C18H17N3O3S — CID 91937816

IUPAC2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2csc(N/N=C/c3ccc(OC)c(O)c3)n2)cc1
InChIInChI=1S/C18H17N3O3S/c1-23-14-6-4-13(5-7-14)15-11-25-18(20-15)21-19-10-12-3-8-17(24-2)16(22)9-12/h3-11,22H,1-2H3,(H,20,21)/b19-10+
InChIKeyZTRFLGNLVQFGIN-VXLYETTFSA-N
MW355.42 g/mol
LogP3.98
Rot. Bonds6

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

2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 91937816) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID91937816
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2csc(N/N=C/c3ccc(OC)c(O)c3)n2)cc1
InChIInChI=1S/C18H17N3O3S/c1-23-14-6-4-13(5-7-14)15-11-25-18(20-15)21-19-10-12-3-8-17(24-2)16(22)9-12/h3-11,22H,1-2H3,(H,20,21)/b19-10+
InChIKeyZTRFLGNLVQFGIN-VXLYETTFSA-N
XLogP3.98
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]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-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,2-diol
CID 762762
(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
(Z)-N-(2-(2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl)-4-(p-tolyl)thiazol-5-yl)acetamide
CID 135825093
2-(2-Cyclopentylidenehydrazinyl)-4-(4-methoxyphenyl)thiazole
CID 25193423
4-[[[5-Benzyl-4-(4-methoxyphenyl)thiazol-2-yl]amino]methyl]-2-methoxy-phenol
CID 72706879
(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
2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-methyl-1,3-thiazole
CID 9680697
2-Benzyl-1-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 49860979

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 91937816) is 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is COc1ccc(-c2csc(N/N=C/c3ccc(OC)c(O)c3)n2)cc1.
What is the InChIKey of 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is ZTRFLGNLVQFGIN-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-14-6-4-13(5-7-14)15-11-25-18(20-15)21-19-10-12-3-8-17(24-2)16(22)9-12/h3-11,22H,1-2H3,(H,20,21)/b19-10+.
What are the key properties of 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 355.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 91937816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).