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

C10H17F3N4S — CID 106286922

IUPAC3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H17F3N4S/c1-3-6(4-2)7(14)5-15-9-16-8(17-18-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16,17)
InChIKeyJKSQEMLGXGKKGS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds6

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

3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine (PubChem CID 106286922) has the molecular formula C10H17F3N4S and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
PubChem CID106286922
Molecular FormulaC10H17F3N4S
Molecular Weight282.34 g/mol
Exact Mass282.11
IUPAC Name3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H17F3N4S/c1-3-6(4-2)7(14)5-15-9-16-8(17-18-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16,17)
InChIKeyJKSQEMLGXGKKGS-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine (CID 106286922) is 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine is CCC(CC)C(N)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The InChIKey is JKSQEMLGXGKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4S/c1-3-6(4-2)7(14)5-15-9-16-8(17-18-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16,17).
What are the key properties of 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine has a molecular weight of 282.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine is sourced from PubChem (CID 106286922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).