5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine

C6H7F3N4S — CID 106215647

IUPAC5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C6H7F3N4S/c7-6(8,9)5(1-2-5)12-4-11-3(10)13-14-4/h1-2H2,(H3,10,11,12,13)
InChIKeyZDWNCTGUQKGJSS-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.63
Rot. Bonds2

About 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 106215647) has the molecular formula C6H7F3N4S and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID106215647
Molecular FormulaC6H7F3N4S
Molecular Weight224.21 g/mol
Exact Mass224.03
IUPAC Name5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C6H7F3N4S/c7-6(8,9)5(1-2-5)12-4-11-3(10)13-14-4/h1-2H2,(H3,10,11,12,13)
InChIKeyZDWNCTGUQKGJSS-UHFFFAOYSA-N
XLogP1.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine (CID 106215647) is 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is ZDWNCTGUQKGJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4S/c7-6(8,9)5(1-2-5)12-4-11-3(10)13-14-4/h1-2H2,(H3,10,11,12,13).
What are the key properties of 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 224.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 106215647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).