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

C8H13F3N4S — CID 107304921

IUPACN'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESCCN(C)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H13F3N4S/c1-3-15(2)5-4-12-7-13-6(14-16-7)8(9,10)11/h3-5H2,1-2H3,(H,12,13,14)
InChIKeyCRLZMFMTSQBIJR-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.92
Rot. Bonds5

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

N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (PubChem CID 107304921) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
PubChem CID107304921
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC NameN'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESCCN(C)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H13F3N4S/c1-3-15(2)5-4-12-7-13-6(14-16-7)8(9,10)11/h3-5H2,1-2H3,(H,12,13,14)
InChIKeyCRLZMFMTSQBIJR-UHFFFAOYSA-N
XLogP1.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-ethyl-N'-methyl-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
N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304649
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268372
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269158
3-tert-butyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274379
3-propyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274436
3-ethyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274437
3-methyl-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 79040764
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 79099578

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (CID 107304921) is N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is CCN(C)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is CRLZMFMTSQBIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-3-15(2)5-4-12-7-13-6(14-16-7)8(9,10)11/h3-5H2,1-2H3,(H,12,13,14).
What are the key properties of N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine has a molecular weight of 254.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 107304921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).