5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine

C7H11F3N4S — CID 80608074

IUPAC5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(CCC(F)(F)F)Cc1nnc(N)s1
InChIInChI=1S/C7H11F3N4S/c1-14(3-2-7(8,9)10)4-5-12-13-6(11)15-5/h2-4H2,1H3,(H2,11,13)
InChIKeyJZYUVFZQVDGLDJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.50
Rot. Bonds4

About 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608074) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608074
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC Name5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(CCC(F)(F)F)Cc1nnc(N)s1
InChIInChI=1S/C7H11F3N4S/c1-14(3-2-7(8,9)10)4-5-12-13-6(11)15-5/h2-4H2,1H3,(H2,11,13)
InChIKeyJZYUVFZQVDGLDJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80608074) is 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CN(CCC(F)(F)F)Cc1nnc(N)s1.
What is the InChIKey of 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JZYUVFZQVDGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-14(3-2-7(8,9)10)4-5-12-13-6(11)15-5/h2-4H2,1H3,(H2,11,13).
What are the key properties of 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 240.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).