N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline

C11H8ClF3N2S — CID 155676645

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cnc(Cl)s1
InChIInChI=1S/C11H8ClF3N2S/c12-10-17-6-7(18-10)5-16-9-4-2-1-3-8(9)11(13,14)15/h1-4,6,16H,5H2
InChIKeyLOIGBOOQOLHJJO-UHFFFAOYSA-N
MW292.71 g/mol
LogP4.43
Rot. Bonds3

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 155676645) has the molecular formula C11H8ClF3N2S and a molecular weight of 292.71 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID155676645
Molecular FormulaC11H8ClF3N2S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cnc(Cl)s1
InChIInChI=1S/C11H8ClF3N2S/c12-10-17-6-7(18-10)5-16-9-4-2-1-3-8(9)11(13,14)15/h1-4,6,16H,5H2
InChIKeyLOIGBOOQOLHJJO-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline (CID 155676645) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is LOIGBOOQOLHJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S/c12-10-17-6-7(18-10)5-16-9-4-2-1-3-8(9)11(13,14)15/h1-4,6,16H,5H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 292.71 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 155676645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).