4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol

C17H15N3O2S2 — CID 135721962

IUPAC4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol
SMILESC=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(O)cc1O
InChIInChI=1S/C17H15N3O2S2/c1-2-7-18-17-20(14(11-24-17)16-4-3-8-23-16)19-10-12-5-6-13(21)9-15(12)22/h2-6,8-11,21-22H,1,7H2/b18-17-,19-10?
InChIKeyXDXFYYNAJBOWOE-OBPOFPIRSA-N
MW357.46 g/mol
LogP3.66
Rot. Bonds5

About 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol

4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol (PubChem CID 135721962) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol
PubChem CID135721962
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol
SMILESC=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(O)cc1O
InChIInChI=1S/C17H15N3O2S2/c1-2-7-18-17-20(14(11-24-17)16-4-3-8-23-16)19-10-12-5-6-13(21)9-15(12)22/h2-6,8-11,21-22H,1,7H2/b18-17-,19-10?
InChIKeyXDXFYYNAJBOWOE-OBPOFPIRSA-N
XLogP3.66
TPSA70.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23934393
4-[[4-(2,5-dimethoxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135813503
4-[[2-(2,4-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135721919
3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23910433
4-[[2-benzylimino-4-(2-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135823393
4-[[2-benzylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135814649
4-[[2-benzylimino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 2436095
3-[[4-(4-methylphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135839067
4-[(E)-[2-(2-methoxyethylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135521591
4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135813515
4-[C-methyl-N-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)carbonimidoyl]benzene-1,3-diol
CID 135770844
4-[[2-(3,4-dichlorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135666184

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol (CID 135721962) is 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol is C=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(O)cc1O.
What is the InChIKey of 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol?
The InChIKey is XDXFYYNAJBOWOE-OBPOFPIRSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-2-7-18-17-20(14(11-24-17)16-4-3-8-23-16)19-10-12-5-6-13(21)9-15(12)22/h2-6,8-11,21-22H,1,7H2/b18-17-,19-10?.
What are the key properties of 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol?
4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol has a molecular weight of 357.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 135721962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).