N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine

C7H12F3N5S — CID 107305970

IUPACN'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESNCCN(CCN)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H12F3N5S/c8-7(9,10)5-13-6(16-14-5)15(3-1-11)4-2-12/h1-4,11-12H2
InChIKeyUDPAQQFBOAGMLI-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.28
Rot. Bonds5

About N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (PubChem CID 107305970) has the molecular formula C7H12F3N5S and a molecular weight of 255.27 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
PubChem CID107305970
Molecular FormulaC7H12F3N5S
Molecular Weight255.27 g/mol
Exact Mass255.08
IUPAC NameN'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESNCCN(CCN)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H12F3N5S/c8-7(9,10)5-13-6(16-14-5)15(3-1-11)4-2-12/h1-4,11-12H2
InChIKeyUDPAQQFBOAGMLI-UHFFFAOYSA-N
XLogP0.28
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine 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-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959828
N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304649
[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]methanamine
CID 138552150
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 79099578
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
N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959830
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959831
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]propan-1-amine
CID 83959832
2,2,2-trifluoro-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959833

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (CID 107305970) is N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is NCCN(CCN)c1nc(C(F)(F)F)ns1.
What is the InChIKey of N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is UDPAQQFBOAGMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5S/c8-7(9,10)5-13-6(16-14-5)15(3-1-11)4-2-12/h1-4,11-12H2.
What are the key properties of N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine has a molecular weight of 255.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 107305970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).