5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine

C10H20N4S — CID 107818817

IUPAC5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCC(CC)CNc1nc(N)ns1
InChIInChI=1S/C10H20N4S/c1-3-5-6-8(4-2)7-12-10-13-9(11)14-15-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyIEFLDXFBZAHEPA-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.75
Rot. Bonds7

About 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 107818817) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID107818817
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCCCC(CC)CNc1nc(N)ns1
InChIInChI=1S/C10H20N4S/c1-3-5-6-8(4-2)7-12-10-13-9(11)14-15-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyIEFLDXFBZAHEPA-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
CID 107819500
5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 107819499
5-N-octan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66277904
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
CID 107816461
4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
CID 114004532
N-(2-ethylhexyl)-1,3-benzothiazol-2-amine
CID 103603194
6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
CID 114004473
5-N-(3-propoxypropyl)-1,2,4-thiadiazole-3,5-diamine
CID 82947352
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
5-N-(2-ethylhexyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 107819793
N-(2-ethylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305185
2-ethyl-N-pentylhexan-1-amine
CID 43081963

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine (CID 107818817) is 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine is CCCCC(CC)CNc1nc(N)ns1.
What is the InChIKey of 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is IEFLDXFBZAHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-3-5-6-8(4-2)7-12-10-13-9(11)14-15-10/h8H,3-7H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 228.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 107818817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).