[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine

C4H4F3N3S — CID 138552150

IUPAC[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
SMILESNCc1nc(C(F)(F)F)ns1
InChIInChI=1S/C4H4F3N3S/c5-4(6,7)3-9-2(1-8)11-10-3/h1,8H2
InChIKeyJLNLOHWUPUAKBZ-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.02
Rot. Bonds1

About [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine

[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine (PubChem CID 138552150) has the molecular formula C4H4F3N3S and a molecular weight of 183.16 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
PubChem CID138552150
Molecular FormulaC4H4F3N3S
Molecular Weight183.16 g/mol
Exact Mass183.01
IUPAC Name[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
SMILESNCc1nc(C(F)(F)F)ns1
InChIInChI=1S/C4H4F3N3S/c5-4(6,7)3-9-2(1-8)11-10-3/h1,8H2
InChIKeyJLNLOHWUPUAKBZ-UHFFFAOYSA-N
XLogP1.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
CID 59497977
CID 59497977
[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959828
Ethane;5-methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 144394777
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268372
1-[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82399161
2-[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82399162
2-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethanamine
CID 82399163
N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959823
N,N-dimethyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959824
3-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959829

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine (CID 138552150) is [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine is NCc1nc(C(F)(F)F)ns1.
What is the InChIKey of [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine?
The InChIKey is JLNLOHWUPUAKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3S/c5-4(6,7)3-9-2(1-8)11-10-3/h1,8H2.
What are the key properties of [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine?
[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine has a molecular weight of 183.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine is sourced from PubChem (CID 138552150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).