4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol

C19H19N3O2S — CID 136822056

IUPAC4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)ccc1O
InChIInChI=1S/C19H19N3O2S/c1-12-4-6-15(13(2)8-12)16-11-25-19(21-16)22-20-10-14-5-7-17(23)18(9-14)24-3/h4-11,23H,1-3H3,(H,21,22)/b20-10-
InChIKeyOMXAFCGHEMGTAA-JMIUGGIZSA-N
MW353.45 g/mol
LogP4.59
Rot. Bonds5

About 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol

4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 136822056) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID136822056
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)ccc1O
InChIInChI=1S/C19H19N3O2S/c1-12-4-6-15(13(2)8-12)16-11-25-19(21-16)22-20-10-14-5-7-17(23)18(9-14)24-3/h4-11,23H,1-3H3,(H,21,22)/b20-10-
InChIKeyOMXAFCGHEMGTAA-JMIUGGIZSA-N
XLogP4.59
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110537464
4-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110529730
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533320
4-(2,4-dimethylphenyl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine bromide
CID 21203586
4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538193
5-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 110339448
N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110530035
4-(2,4-dimethylphenyl)-N-[(Z)-(3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534703
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110529832
4-(2,4-dimethylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110537943
N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110533645
2-chloro-4-[(Z)-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136781777

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol (CID 136822056) is 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)ccc1O.
What is the InChIKey of 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is OMXAFCGHEMGTAA-JMIUGGIZSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-4-6-15(13(2)8-12)16-11-25-19(21-16)22-20-10-14-5-7-17(23)18(9-14)24-3/h4-11,23H,1-3H3,(H,21,22)/b20-10-.
What are the key properties of 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 353.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 136822056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).