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

C10H17F3N4S — CID 114168634

IUPAC3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H17F3N4S/c1-3-6(4-2)7(14)5-15-9-17-16-8(18-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyDRARSZWQUQIGTP-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds6

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

3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine (PubChem CID 114168634) has the molecular formula C10H17F3N4S and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
PubChem CID114168634
Molecular FormulaC10H17F3N4S
Molecular Weight282.34 g/mol
Exact Mass282.11
IUPAC Name3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H17F3N4S/c1-3-6(4-2)7(14)5-15-9-17-16-8(18-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyDRARSZWQUQIGTP-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-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine (CID 114168634) is 3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine is CCC(CC)C(N)CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of 3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine?
The InChIKey is DRARSZWQUQIGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4S/c1-3-6(4-2)7(14)5-15-9-17-16-8(18-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine?
3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine is sourced from PubChem (CID 114168634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).