2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline

C11H9F3N2S — CID 165451580

IUPAC2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline
SMILESCc1c(N)cc(-c2nccs2)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N2S/c1-6-8(11(12,13)14)4-7(5-9(6)15)10-16-2-3-17-10/h2-5H,15H2,1H3
InChIKeyWTSBHPVCUOOLCT-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.72
Rot. Bonds1

About 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline

2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline (PubChem CID 165451580) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline
PubChem CID165451580
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline
SMILESCc1c(N)cc(-c2nccs2)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N2S/c1-6-8(11(12,13)14)4-7(5-9(6)15)10-16-2-3-17-10/h2-5H,15H2,1H3
InChIKeyWTSBHPVCUOOLCT-UHFFFAOYSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline (CID 165451580) is 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline is Cc1c(N)cc(-c2nccs2)cc1C(F)(F)F.
What is the InChIKey of 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline?
The InChIKey is WTSBHPVCUOOLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-6-8(11(12,13)14)4-7(5-9(6)15)10-16-2-3-17-10/h2-5H,15H2,1H3.
What are the key properties of 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline?
2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline has a molecular weight of 258.27 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3-thiazol-2-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 165451580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).