2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline

C11H10F3N3S — CID 66478947

IUPAC2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCc1csnn1
InChIInChI=1S/C11H10F3N3S/c1-7-2-3-8(11(12,13)14)4-10(7)15-5-9-6-18-17-16-9/h2-4,6,15H,5H2,1H3
InChIKeyAUHADAGYBWXAQY-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.48
Rot. Bonds3

About 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline

2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline (PubChem CID 66478947) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
PubChem CID66478947
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCc1csnn1
InChIInChI=1S/C11H10F3N3S/c1-7-2-3-8(11(12,13)14)4-10(7)15-5-9-6-18-17-16-9/h2-4,6,15H,5H2,1H3
InChIKeyAUHADAGYBWXAQY-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)aniline
CID 81313173
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43701909
4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107694477
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66479341
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
4-bromo-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107737917
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline (CID 66478947) is 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NCc1csnn1.
What is the InChIKey of 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline?
The InChIKey is AUHADAGYBWXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c1-7-2-3-8(11(12,13)14)4-10(7)15-5-9-6-18-17-16-9/h2-4,6,15H,5H2,1H3.
What are the key properties of 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline?
2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline has a molecular weight of 273.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66478947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).