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

C7H11F3N4S — CID 107305328

IUPAC2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
SMILESCC(C)(CN)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H11F3N4S/c1-6(2,3-11)13-5-12-4(14-15-5)7(8,9)10/h3,11H2,1-2H3,(H,12,13,14)
InChIKeyDMPFLPBUTKXVHT-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.71
Rot. Bonds3

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

2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine (PubChem CID 107305328) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
PubChem CID107305328
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC Name2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
SMILESCC(C)(CN)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H11F3N4S/c1-6(2,3-11)13-5-12-4(14-15-5)7(8,9)10/h3,11H2,1-2H3,(H,12,13,14)
InChIKeyDMPFLPBUTKXVHT-UHFFFAOYSA-N
XLogP1.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine (CID 107305328) is 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine is CC(C)(CN)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The InChIKey is DMPFLPBUTKXVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-6(2,3-11)13-5-12-4(14-15-5)7(8,9)10/h3,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine has a molecular weight of 240.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine is sourced from PubChem (CID 107305328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).