2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine

C7H10F3N3S — CID 130544605

IUPAC2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
SMILESCC(C)(CN)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3S/c1-6(2,3-11)5-12-4(13-14-5)7(8,9)10/h3,11H2,1-2H3
InChIKeyBZNQYADHTGUUEX-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.79
Rot. Bonds2

About 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine

2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine (PubChem CID 130544605) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
PubChem CID130544605
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
SMILESCC(C)(CN)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3S/c1-6(2,3-11)5-12-4(13-14-5)7(8,9)10/h3,11H2,1-2H3
InChIKeyBZNQYADHTGUUEX-UHFFFAOYSA-N
XLogP1.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine (CID 130544605) is 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine is CC(C)(CN)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine?
The InChIKey is BZNQYADHTGUUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-6(2,3-11)5-12-4(13-14-5)7(8,9)10/h3,11H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine?
2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 130544605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).