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

C10H17F3N4S — CID 107305469

IUPAC2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H17F3N4S/c1-6(2)4-9(3,5-14)16-8-15-7(17-18-8)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,16,17)
InChIKeySTYQFOUXLZJQEZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds5

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

2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine (PubChem CID 107305469) has the molecular formula C10H17F3N4S and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine.

Molecular Properties

Compound Name2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
PubChem CID107305469
Molecular FormulaC10H17F3N4S
Molecular Weight282.34 g/mol
Exact Mass282.11
IUPAC Name2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H17F3N4S/c1-6(2)4-9(3,5-14)16-8-15-7(17-18-8)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,16,17)
InChIKeySTYQFOUXLZJQEZ-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105758462
N-(2-ethylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105758902
N-(2-propylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105778734
N-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105779332
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127
N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106126618
1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,4-diamine
CID 106127410
2,2-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,5-diamine
CID 106142608
2-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,5-diamine
CID 106155171
3-methyl-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,3-diamine
CID 106165616
3-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
CID 106286922

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The IUPAC name of 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine (CID 107305469) is 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine.
What is the SMILES notation for 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The canonical SMILES for 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine is CC(C)CC(C)(CN)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The InChIKey is STYQFOUXLZJQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4S/c1-6(2)4-9(3,5-14)16-8-15-7(17-18-8)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
2,4-dimethyl-2-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, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine is sourced from PubChem (CID 107305469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).