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

C17H15N3O2S — CID 135608306

IUPAC2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2csc(N/N=C/c3ccccc3O)n2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-8-6-12(7-9-14)15-11-23-17(19-15)20-18-10-13-4-2-3-5-16(13)21/h2-11,21H,1H3,(H,19,20)/b18-10+
InChIKeyCWIQHSYQBPESLH-VCHYOVAHSA-N
MW325.39 g/mol
LogP3.97
Rot. Bonds5

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

2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135608306) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135608306
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccc(-c2csc(N/N=C/c3ccccc3O)n2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-8-6-12(7-9-14)15-11-23-17(19-15)20-18-10-13-4-2-3-5-16(13)21/h2-11,21H,1H3,(H,19,20)/b18-10+
InChIKeyCWIQHSYQBPESLH-VCHYOVAHSA-N
XLogP3.97
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-N,N-dimethylbenzenesulfonamide
CID 135548673
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-{4-[(4-Methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
CID 145704648
4-Ethoxy-2-hydroxybenzaldehyde (4-methyl-1,3-thiazol-2-yl)hydrazone
CID 135426289
2-(2-Cyclopentylidenehydrazinyl)-4-(4-methoxyphenyl)thiazole
CID 25193423
4-(4-Ethoxyphenyl)-1,3-thiazol-2-amine
CID 613217

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135608306) is 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is COc1ccc(-c2csc(N/N=C/c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is CWIQHSYQBPESLH-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-14-8-6-12(7-9-14)15-11-23-17(19-15)20-18-10-13-4-2-3-5-16(13)21/h2-11,21H,1H3,(H,19,20)/b18-10+.
What are the key properties of 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 325.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135608306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).