N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine

C20H12Cl2F3N3OS — CID 155269219

IUPACN-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESFC(F)(F)c1ccc(-c2nc3sccn3c2C=NOCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H12Cl2F3N3OS/c21-15-6-1-12(9-16(15)22)11-29-26-10-17-18(27-19-28(17)7-8-30-19)13-2-4-14(5-3-13)20(23,24)25/h1-10H,11H2
InChIKeyIOYLGJPLAFEWGR-UHFFFAOYSA-N
MW470.30 g/mol
LogP6.94
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine

N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine (PubChem CID 155269219) has the molecular formula C20H12Cl2F3N3OS and a molecular weight of 470.30 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
PubChem CID155269219
Molecular FormulaC20H12Cl2F3N3OS
Molecular Weight470.30 g/mol
Exact Mass469.00
IUPAC NameN-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESFC(F)(F)c1ccc(-c2nc3sccn3c2C=NOCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H12Cl2F3N3OS/c21-15-6-1-12(9-16(15)22)11-29-26-10-17-18(27-19-28(17)7-8-30-19)13-2-4-14(5-3-13)20(23,24)25/h1-10H,11H2
InChIKeyIOYLGJPLAFEWGR-UHFFFAOYSA-N
XLogP6.94
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.30
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine 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 N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The IUPAC name of N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine (CID 155269219) is N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine is FC(F)(F)c1ccc(-c2nc3sccn3c2C=NOCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The InChIKey is IOYLGJPLAFEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N3OS/c21-15-6-1-12(9-16(15)22)11-29-26-10-17-18(27-19-28(17)7-8-30-19)13-2-4-14(5-3-13)20(23,24)25/h1-10H,11H2.
What are the key properties of N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine has a molecular weight of 470.30 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine is sourced from PubChem (CID 155269219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).