N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

C12H11F3N2OS — CID 63654995

IUPACN-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCc1nccs1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-18-10-4-2-1-3-9(10)17-7-11-16-5-6-19-11/h1-6,17H,7-8H2
InChIKeyJWOVJPQNHDBCSF-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.70
Rot. Bonds5

About N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline

N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 63654995) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID63654995
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccccc1NCc1nccs1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-18-10-4-2-1-3-9(10)17-7-11-16-5-6-19-11/h1-6,17H,7-8H2
InChIKeyJWOVJPQNHDBCSF-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline (CID 63654995) is N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccccc1NCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is JWOVJPQNHDBCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)8-18-10-4-2-1-3-9(10)17-7-11-16-5-6-19-11/h1-6,17H,7-8H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline?
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 288.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 63654995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).