2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol

C20H21N3OS — CID 137244941

IUPAC2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol
SMILESCCCc1cccc(/C=N/N=c2\scc(-c3ccccc3)n2C)c1O
InChIInChI=1S/C20H21N3OS/c1-3-8-16-11-7-12-17(19(16)24)13-21-22-20-23(2)18(14-25-20)15-9-5-4-6-10-15/h4-7,9-14,24H,3,8H2,1-2H3/b21-13+,22-20-
InChIKeyAAFKENFPTOHULR-JFNKQFOPSA-N
MW351.48 g/mol
LogP4.35
Rot. Bonds5

About 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol

2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol (PubChem CID 137244941) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol.

Molecular Properties

Compound Name2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol
PubChem CID137244941
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol
SMILESCCCc1cccc(/C=N/N=c2\scc(-c3ccccc3)n2C)c1O
InChIInChI=1S/C20H21N3OS/c1-3-8-16-11-7-12-17(19(16)24)13-21-22-20-23(2)18(14-25-20)15-9-5-4-6-10-15/h4-7,9-14,24H,3,8H2,1-2H3/b21-13+,22-20-
InChIKeyAAFKENFPTOHULR-JFNKQFOPSA-N
XLogP4.35
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', '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

(E)-N-[(E)-(2-fluorophenyl)methylideneamino]-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
CID 170909488
3-[(4-phenyl-2-propan-2-ylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 135776272
3-[3-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazol-4-yl]phenol
CID 91496126
(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 87733604
2-[(Z)-[(Z)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911200
4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 137295298
4-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-phenyl-1,3-thiazol-3-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 4180719
2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135684010
3-methyl-N-[4-[4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]phenyl]sulfonylphenyl]-4-phenyl-1,3-thiazol-2-imine
CID 122373825
3-[[4-(4-methylphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135839067
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
(3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one
CID 137206725

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol?
The IUPAC name of 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol (CID 137244941) is 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol.
What is the SMILES notation for 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol?
The canonical SMILES for 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol is CCCc1cccc(/C=N/N=c2\scc(-c3ccccc3)n2C)c1O.
What is the InChIKey of 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol?
The InChIKey is AAFKENFPTOHULR-JFNKQFOPSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-3-8-16-11-7-12-17(19(16)24)13-21-22-20-23(2)18(14-25-20)15-9-5-4-6-10-15/h4-7,9-14,24H,3,8H2,1-2H3/b21-13+,22-20-.
What are the key properties of 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol?
2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol has a molecular weight of 351.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]-6-propylphenol is sourced from PubChem (CID 137244941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).