3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine

C11H10F3N3S — CID 65267991

IUPAC3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H10F3N3S/c1-7-16-10(18-17-7)15-6-8-2-4-9(5-3-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyOIXHCGMSRXTUMO-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.48
Rot. Bonds3

About 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65267991) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65267991
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H10F3N3S/c1-7-16-10(18-17-7)15-6-8-2-4-9(5-3-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyOIXHCGMSRXTUMO-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

2-Benzylamino-4-methyl-6-trifluoromethyl-1,3,5-triazine
CID 15857810
N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975288
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 3920694
3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 8065271
2-[(Methylamino)(thiocarbonyl)]-5-[4-(trifluoromethyl)phenyl]-2H-1,2,4-triazol-3-amine
CID 10733030
4-methyl-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 76308658
4-(difluoromethyl)-6-methyl-N-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 76323271
4-methyl-6-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 76330460
3-[4-(Trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
CID 43556119
N-benzyl-4-(difluoromethyl)-6-methyl-1,3,5-triazin-2-amine
CID 76326845
3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269255
N-ethyl-3-(4-fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 65269146

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine (CID 65267991) is 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is OIXHCGMSRXTUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c1-7-16-10(18-17-7)15-6-8-2-4-9(5-3-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine 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 3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).