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

C7H11F3N4S — CID 107304581

IUPACN,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H11F3N4S/c1-11-3-4-14(2)6-12-5(13-15-6)7(8,9)10/h11H,3-4H2,1-2H3
InChIKeyZQHZPWWJVKYBGJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.21
Rot. Bonds4

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

N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (PubChem CID 107304581) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
PubChem CID107304581
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC NameN,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESCNCCN(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H11F3N4S/c1-11-3-4-14(2)6-12-5(13-15-6)7(8,9)10/h11H,3-4H2,1-2H3
InChIKeyZQHZPWWJVKYBGJ-UHFFFAOYSA-N
XLogP1.21
TPSA41.05 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (CID 107304581) is N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is CNCCN(C)c1nc(C(F)(F)F)ns1.
What is the InChIKey of N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is ZQHZPWWJVKYBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-11-3-4-14(2)6-12-5(13-15-6)7(8,9)10/h11H,3-4H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine has a molecular weight of 240.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 107304581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).