4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide

C28H25F3N6O3S — CID 123685238

IUPAC4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide
SMILESCOc1cc(C)c(/N=c2\scc(O)n2/N=C\c2ccc(/C(N)=N/C=N/c3ccc(OC(F)(F)F)cc3)cc2)c(C)c1
InChIInChI=1S/C28H25F3N6O3S/c1-17-12-23(39-3)13-18(2)25(17)36-27-37(24(38)15-41-27)35-14-19-4-6-20(7-5-19)26(32)34-16-33-21-8-10-22(11-9-21)40-28(29,30)31/h4-16,38H,1-3H3,(H2,32,33,34)/b35-14-,36-27-
InChIKeyJNPSECAVTRZKFY-FEKDJAHGSA-N
MW582.61 g/mol
LogP5.96
Rot. Bonds8

About 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide

4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide (PubChem CID 123685238) has the molecular formula C28H25F3N6O3S and a molecular weight of 582.61 g/mol. Its IUPAC name is 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide
PubChem CID123685238
Molecular FormulaC28H25F3N6O3S
Molecular Weight582.61 g/mol
Exact Mass582.17
IUPAC Name4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide
SMILESCOc1cc(C)c(/N=c2\scc(O)n2/N=C\c2ccc(/C(N)=N/C=N/c3ccc(OC(F)(F)F)cc3)cc2)c(C)c1
InChIInChI=1S/C28H25F3N6O3S/c1-17-12-23(39-3)13-18(2)25(17)36-27-37(24(38)15-41-27)35-14-19-4-6-20(7-5-19)26(32)34-16-33-21-8-10-22(11-9-21)40-28(29,30)31/h4-16,38H,1-3H3,(H2,32,33,34)/b35-14-,36-27-
InChIKeyJNPSECAVTRZKFY-FEKDJAHGSA-N
XLogP5.96
TPSA119.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.61
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide?
The IUPAC name of 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide (CID 123685238) is 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide?
The canonical SMILES for 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide is COc1cc(C)c(/N=c2\scc(O)n2/N=C\c2ccc(/C(N)=N/C=N/c3ccc(OC(F)(F)F)cc3)cc2)c(C)c1.
What is the InChIKey of 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide?
The InChIKey is JNPSECAVTRZKFY-FEKDJAHGSA-N. The full InChI is InChI=1S/C28H25F3N6O3S/c1-17-12-23(39-3)13-18(2)25(17)36-27-37(24(38)15-41-27)35-14-19-4-6-20(7-5-19)26(32)34-16-33-21-8-10-22(11-9-21)40-28(29,30)31/h4-16,38H,1-3H3,(H2,32,33,34)/b35-14-,36-27-.
What are the key properties of 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide?
4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide has a molecular weight of 582.61 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[4-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N'-[[4-(trifluoromethoxy)phenyl]iminomethyl]benzenecarboximidamide is sourced from PubChem (CID 123685238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).