[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine

C11H9F3N2S — CID 106783883

IUPAC[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine
SMILESNCc1ccccc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)10-16-6-9(17-10)8-4-2-1-3-7(8)5-15/h1-4,6H,5,15H2
InChIKeyJXKYGPRPLHQIPG-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.29
Rot. Bonds2

About [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine

[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine (PubChem CID 106783883) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine
PubChem CID106783883
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine
SMILESNCc1ccccc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)10-16-6-9(17-10)8-4-2-1-3-7(8)5-15/h1-4,6H,5,15H2
InChIKeyJXKYGPRPLHQIPG-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine?
The IUPAC name of [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine (CID 106783883) is [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine?
The canonical SMILES for [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine is NCc1ccccc1-c1cnc(C(F)(F)F)s1.
What is the InChIKey of [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine?
The InChIKey is JXKYGPRPLHQIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c12-11(13,14)10-16-6-9(17-10)8-4-2-1-3-7(8)5-15/h1-4,6H,5,15H2.
What are the key properties of [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine?
[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine has a molecular weight of 258.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 106783883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).