1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine

C11H6ClF3N2OS — CID 155676630

IUPAC1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccccc1/N=C/c1cnc(Cl)s1
InChIInChI=1S/C11H6ClF3N2OS/c12-10-17-6-7(19-10)5-16-8-3-1-2-4-9(8)18-11(13,14)15/h1-6H/b16-5+
InChIKeyCZTQLZLTMAXSAN-FZSIALSZSA-N
MW306.70 g/mol
LogP4.45
Rot. Bonds3

About 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine

1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine (PubChem CID 155676630) has the molecular formula C11H6ClF3N2OS and a molecular weight of 306.70 g/mol. Its IUPAC name is 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine
PubChem CID155676630
Molecular FormulaC11H6ClF3N2OS
Molecular Weight306.70 g/mol
Exact Mass305.98
IUPAC Name1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccccc1/N=C/c1cnc(Cl)s1
InChIInChI=1S/C11H6ClF3N2OS/c12-10-17-6-7(19-10)5-16-8-3-1-2-4-9(8)18-11(13,14)15/h1-6H/b16-5+
InChIKeyCZTQLZLTMAXSAN-FZSIALSZSA-N
XLogP4.45
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine (CID 155676630) is 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine is FC(F)(F)Oc1ccccc1/N=C/c1cnc(Cl)s1.
What is the InChIKey of 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is CZTQLZLTMAXSAN-FZSIALSZSA-N. The full InChI is InChI=1S/C11H6ClF3N2OS/c12-10-17-6-7(19-10)5-16-8-3-1-2-4-9(8)18-11(13,14)15/h1-6H/b16-5+.
What are the key properties of 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine?
1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 306.70 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 155676630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).