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

C11H6ClF3N2S — CID 155676639

IUPAC1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/N=C/c1cnc(Cl)s1
InChIInChI=1S/C11H6ClF3N2S/c12-10-17-6-7(18-10)5-16-9-4-2-1-3-8(9)11(13,14)15/h1-6H/b16-5+
InChIKeyYOQWNBIVUQBYSV-FZSIALSZSA-N
MW290.70 g/mol
LogP4.57
Rot. Bonds2

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

1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 155676639) has the molecular formula C11H6ClF3N2S and a molecular weight of 290.70 g/mol. Its IUPAC name is 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID155676639
Molecular FormulaC11H6ClF3N2S
Molecular Weight290.70 g/mol
Exact Mass289.99
IUPAC Name1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/N=C/c1cnc(Cl)s1
InChIInChI=1S/C11H6ClF3N2S/c12-10-17-6-7(18-10)5-16-9-4-2-1-3-8(9)11(13,14)15/h1-6H/b16-5+
InChIKeyYOQWNBIVUQBYSV-FZSIALSZSA-N
XLogP4.57
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-(2-nitrophenethyl)-1,3-thiazole
CID 1472892
4-(1,3-Thiazol-5-yl)aniline
CID 11298271
2-[2-(2-Methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline
CID 102291138
5-Phenyl-2-(trifluoromethyl)thiazole
CID 138984066
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1480036
Thiazole, 5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-
CID 22647608
2-Fluoro-5-(2-methyl-1,3-thiazol-5-yl)aniline
CID 39241968
2-(2-Methyl-thiazol-5-yl)-phenylamine
CID 53429036
N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 57236238
4-Fluoro-2-thiazol-2-yl-phenylamine
CID 57278664
2-(5-Methylthiazol-2-YL)-5-(trifluoromethyl)aniline
CID 57666734
5-Fluoro-2-thiazol-2-yl-phenylamine
CID 57666744

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine (CID 155676639) is 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccccc1/N=C/c1cnc(Cl)s1.
What is the InChIKey of 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is YOQWNBIVUQBYSV-FZSIALSZSA-N. The full InChI is InChI=1S/C11H6ClF3N2S/c12-10-17-6-7(18-10)5-16-9-4-2-1-3-8(9)11(13,14)15/h1-6H/b16-5+.
What are the key properties of 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine?
1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 290.70 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 155676639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).