4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol

C20H21N3O2S — CID 135602876

IUPAC4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCCn1c(-c2ccc(C)cc2)cs/c1=N\N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C20H21N3O2S/c1-4-23-17(16-8-5-14(2)6-9-16)13-26-20(23)22-21-12-15-7-10-18(24)19(11-15)25-3/h5-13,24H,4H2,1-3H3/b21-12-,22-20-
InChIKeyFZGRREYAJLEPSH-UDHDDVGTSA-N
MW367.47 g/mol
LogP4.19
Rot. Bonds5

About 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol

4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135602876) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135602876
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCCn1c(-c2ccc(C)cc2)cs/c1=N\N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C20H21N3O2S/c1-4-23-17(16-8-5-14(2)6-9-16)13-26-20(23)22-21-12-15-7-10-18(24)19(11-15)25-3/h5-13,24H,4H2,1-3H3/b21-12-,22-20-
InChIKeyFZGRREYAJLEPSH-UDHDDVGTSA-N
XLogP4.19
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol (CID 135602876) is 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol is CCn1c(-c2ccc(C)cc2)cs/c1=N\N=C/c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is FZGRREYAJLEPSH-UDHDDVGTSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-23-17(16-8-5-14(2)6-9-16)13-26-20(23)22-21-12-15-7-10-18(24)19(11-15)25-3/h5-13,24H,4H2,1-3H3/b21-12-,22-20-.
What are the key properties of 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 367.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(Z)-[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135602876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).