2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C7H10F3N3S2 — CID 62576233

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1nncs1
InChIInChI=1S/C7H10F3N3S2/c1-5(2-11-3-7(8,9)10)15-6-13-12-4-14-6/h4-5,11H,2-3H2,1H3
InChIKeyJVFRJECNYLIOLV-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.17
Rot. Bonds5

About 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62576233) has the molecular formula C7H10F3N3S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62576233
Molecular FormulaC7H10F3N3S2
Molecular Weight257.31 g/mol
Exact Mass257.03
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1nncs1
InChIInChI=1S/C7H10F3N3S2/c1-5(2-11-3-7(8,9)10)15-6-13-12-4-14-6/h4-5,11H,2-3H2,1H3
InChIKeyJVFRJECNYLIOLV-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62576233) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Sc1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is JVFRJECNYLIOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S2/c1-5(2-11-3-7(8,9)10)15-6-13-12-4-14-6/h4-5,11H,2-3H2,1H3.
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 257.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62576233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).