(E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine

C16H11ClF4N4O2S — CID 25156654

IUPAC(E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine
SMILESCn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccc(F)cc1
InChIInChI=1S/C16H11ClF4N4O2S/c1-25-14(27-10-4-2-9(18)3-5-10)12(13(24-25)16(19,20)21)7-23-26-8-11-6-22-15(17)28-11/h2-7H,8H2,1H3/b23-7+
InChIKeyUZTXKNIPIIJJMV-HCGXMYGOSA-N
MW434.80 g/mol
LogP5.03
Rot. Bonds6

About (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine

(E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine (PubChem CID 25156654) has the molecular formula C16H11ClF4N4O2S and a molecular weight of 434.80 g/mol. Its IUPAC name is (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine
PubChem CID25156654
Molecular FormulaC16H11ClF4N4O2S
Molecular Weight434.80 g/mol
Exact Mass434.02
IUPAC Name(E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine
SMILESCn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccc(F)cc1
InChIInChI=1S/C16H11ClF4N4O2S/c1-25-14(27-10-4-2-9(18)3-5-10)12(13(24-25)16(19,20)21)7-23-26-8-11-6-22-15(17)28-11/h2-7H,8H2,1H3/b23-7+
InChIKeyUZTXKNIPIIJJMV-HCGXMYGOSA-N
XLogP5.03
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-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 (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine?
The IUPAC name of (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine (CID 25156654) is (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine.
What is the SMILES notation for (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine?
The canonical SMILES for (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine is Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccc(F)cc1.
What is the InChIKey of (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine?
The InChIKey is UZTXKNIPIIJJMV-HCGXMYGOSA-N. The full InChI is InChI=1S/C16H11ClF4N4O2S/c1-25-14(27-10-4-2-9(18)3-5-10)12(13(24-25)16(19,20)21)7-23-26-8-11-6-22-15(17)28-11/h2-7H,8H2,1H3/b23-7+.
What are the key properties of (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine?
(E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine has a molecular weight of 434.80 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-[5-(4-fluorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine is sourced from PubChem (CID 25156654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).