N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline

C11H9F3N2S — CID 60685981

IUPACN-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2cscn2)cc1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)8-1-3-9(4-2-8)15-5-10-6-17-7-16-10/h1-4,6-7,15H,5H2
InChIKeyMPFHODZUHNGHHZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.77
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline

N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 60685981) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
PubChem CID60685981
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2cscn2)cc1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)8-1-3-9(4-2-8)15-5-10-6-17-7-16-10/h1-4,6-7,15H,5H2
InChIKeyMPFHODZUHNGHHZ-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline (CID 60685981) is N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCc2cscn2)cc1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is MPFHODZUHNGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c12-11(13,14)8-1-3-9(4-2-8)15-5-10-6-17-7-16-10/h1-4,6-7,15H,5H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline?
N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 258.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 60685981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).