N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C6H9F3N4S — CID 107494203

IUPACN'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncns1
InChIInChI=1S/C6H9F3N4S/c7-6(8,9)3-13(2-1-10)5-11-4-12-14-5/h4H,1-3,10H2
InChIKeyHUHHVIVYOWOLMV-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.87
Rot. Bonds4

About N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494203) has the molecular formula C6H9F3N4S and a molecular weight of 226.23 g/mol. Its IUPAC name is N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494203
Molecular FormulaC6H9F3N4S
Molecular Weight226.23 g/mol
Exact Mass226.05
IUPAC NameN'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncns1
InChIInChI=1S/C6H9F3N4S/c7-6(8,9)3-13(2-1-10)5-11-4-12-14-5/h4H,1-3,10H2
InChIKeyHUHHVIVYOWOLMV-UHFFFAOYSA-N
XLogP0.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271024
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279237
N'-(2-aminoethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107305970
N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107493998
N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 115407615
3-Piperazin-1-yl-1,2,4-thiadiazole
CID 18787135
1-(1,2,4-Thiadiazol-5-YL)piperazine
CID 20384287
2-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]ethanamine
CID 65270341
N,N'-dimethyl-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272066
N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272252
N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272508
N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272537

Frequently Asked Questions

What is the IUPAC name of N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494203) is N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1ncns1.
What is the InChIKey of N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HUHHVIVYOWOLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4S/c7-6(8,9)3-13(2-1-10)5-11-4-12-14-5/h4H,1-3,10H2.
What are the key properties of N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 226.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).