2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol

C20H19N3OS — CID 135590896

IUPAC2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)c1O
InChIInChI=1S/C20H19N3OS/c1-3-8-16-11-7-12-17(19(16)24)13-21-23-20-22-18(14(2)25-20)15-9-5-4-6-10-15/h3-7,9-13,24H,1,8H2,2H3,(H,22,23)/b21-13+
InChIKeyHXAARDWOWCYNHP-FYJGNVAPSA-N
MW349.46 g/mol
LogP5.00
Rot. Bonds6

About 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol

2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol (PubChem CID 135590896) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol
PubChem CID135590896
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)c1O
InChIInChI=1S/C20H19N3OS/c1-3-8-16-11-7-12-17(19(16)24)13-21-23-20-22-18(14(2)25-20)15-9-5-4-6-10-15/h3-7,9-13,24H,1,8H2,2H3,(H,22,23)/b21-13+
InChIKeyHXAARDWOWCYNHP-FYJGNVAPSA-N
XLogP5.00
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol
CID 2863759
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538638
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538684
5-methyl-N-[(2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4057416
2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol
CID 137185570
2-[(Z)-[(4-methoxyphenyl)hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136919154
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 135719318
2-chloro-6-ethoxy-4-[(Z)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136781789
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110339348
N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110532113

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol (CID 135590896) is 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol is C=CCc1cccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)c1O.
What is the InChIKey of 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol?
The InChIKey is HXAARDWOWCYNHP-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-3-8-16-11-7-12-17(19(16)24)13-21-23-20-22-18(14(2)25-20)15-9-5-4-6-10-15/h3-7,9-13,24H,1,8H2,2H3,(H,22,23)/b21-13+.
What are the key properties of 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol?
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol has a molecular weight of 349.46 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol is sourced from PubChem (CID 135590896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).