2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol

C16H19N3O2S — CID 136911199

IUPAC2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESC=CCn1c(C)cs/c1=N\N=C/c1ccc(O)c(OCC)c1
InChIInChI=1S/C16H19N3O2S/c1-4-8-19-12(3)11-22-16(19)18-17-10-13-6-7-14(20)15(9-13)21-5-2/h4,6-7,9-11,20H,1,5,8H2,2-3H3/b17-10-,18-16-
InChIKeyHEQOJSXDKYTZCL-TZKGXWNZSA-N
MW317.41 g/mol
LogP3.08
Rot. Bonds6

About 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol

2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol (PubChem CID 136911199) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
PubChem CID136911199
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESC=CCn1c(C)cs/c1=N\N=C/c1ccc(O)c(OCC)c1
InChIInChI=1S/C16H19N3O2S/c1-4-8-19-12(3)11-22-16(19)18-17-10-13-6-7-14(20)15(9-13)21-5-2/h4,6-7,9-11,20H,1,5,8H2,2-3H3/b17-10-,18-16-
InChIKeyHEQOJSXDKYTZCL-TZKGXWNZSA-N
XLogP3.08
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.08
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135684010
2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135618841
4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135666890
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
CID 6895451
(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 87804391
4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol
CID 135722054
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136928188
2-ethoxy-4-[[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135676743
4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol
CID 135675850
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]-2-ethoxyphenol
CID 135614073
6-bromo-3-[(2Z)-3-cyclohexyl-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazol-4-yl]chromen-2-one
CID 135499637

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol (CID 136911199) is 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol is C=CCn1c(C)cs/c1=N\N=C/c1ccc(O)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The InChIKey is HEQOJSXDKYTZCL-TZKGXWNZSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-4-8-19-12(3)11-22-16(19)18-17-10-13-6-7-14(20)15(9-13)21-5-2/h4,6-7,9-11,20H,1,5,8H2,2-3H3/b17-10-,18-16-.
What are the key properties of 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol has a molecular weight of 317.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136911199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).