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

C7H11F3N4S — CID 107304585

IUPACN'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESCCN(CCN)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H11F3N4S/c1-2-14(4-3-11)6-12-5(13-15-6)7(8,9)10/h2-4,11H2,1H3
InChIKeyWGTLYOYABWEYFQ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.34
Rot. Bonds4

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

N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (PubChem CID 107304585) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
PubChem CID107304585
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC NameN'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESCCN(CCN)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H11F3N4S/c1-2-14(4-3-11)6-12-5(13-15-6)7(8,9)10/h2-4,11H2,1H3
InChIKeyWGTLYOYABWEYFQ-UHFFFAOYSA-N
XLogP1.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (CID 107304585) is N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is CCN(CCN)c1nc(C(F)(F)F)ns1.
What is the InChIKey of N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is WGTLYOYABWEYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-2-14(4-3-11)6-12-5(13-15-6)7(8,9)10/h2-4,11H2,1H3.
What are the key properties of N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine has a molecular weight of 240.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 107304585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).