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

C13H15N3OS — CID 135666890

IUPAC4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESCCn1c(C)cs/c1=N\N=C\c1ccc(O)cc1
InChIInChI=1S/C13H15N3OS/c1-3-16-10(2)9-18-13(16)15-14-8-11-4-6-12(17)7-5-11/h4-9,17H,3H2,1-2H3/b14-8+,15-13-
InChIKeyDXTKHENPDZXQBE-MFAHRBHOSA-N
MW261.35 g/mol
LogP2.52
Rot. Bonds3

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

4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol (PubChem CID 135666890) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
PubChem CID135666890
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESCCn1c(C)cs/c1=N\N=C\c1ccc(O)cc1
InChIInChI=1S/C13H15N3OS/c1-3-16-10(2)9-18-13(16)15-14-8-11-4-6-12(17)7-5-11/h4-9,17H,3H2,1-2H3/b14-8+,15-13-
InChIKeyDXTKHENPDZXQBE-MFAHRBHOSA-N
XLogP2.52
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-[(Z)-[(Z)-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]phenol
CID 136757593
(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
CID 6895451
2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911199
2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135684010
4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 137295298
1-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-methyl-1,3-thiazol-3-yl]ethanone
CID 17036885
2-[(Z)-[(Z)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911200
N-(2-bromoethyl)-4-[[4-[[(3,4-dimethyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenyl]diazenyl]-N-ethylaniline
CID 91330124
N-(2-bromoethyl)-4-[[4-[[(Z)-(3,4-dimethyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenyl]diazenyl]-N-ethylaniline
CID 87580332
5-ethyl-2-[(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135476302
(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 87804391
4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
CID 135841653

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol (CID 135666890) is 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol is CCn1c(C)cs/c1=N\N=C\c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The InChIKey is DXTKHENPDZXQBE-MFAHRBHOSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-16-10(2)9-18-13(16)15-14-8-11-4-6-12(17)7-5-11/h4-9,17H,3H2,1-2H3/b14-8+,15-13-.
What are the key properties of 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol has a molecular weight of 261.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135666890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).