5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine

C7H9F3N4S — CID 66279238

IUPAC5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)3-14(4-1-2-4)6-12-5(11)13-15-6/h4H,1-3H2,(H2,11,13)
InChIKeyABDQEBMXBBGQPI-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.65
Rot. Bonds3

About 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279238) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279238
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)3-14(4-1-2-4)6-12-5(11)13-15-6/h4H,1-3H2,(H2,11,13)
InChIKeyABDQEBMXBBGQPI-UHFFFAOYSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66279238) is 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is ABDQEBMXBBGQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c8-7(9,10)3-14(4-1-2-4)6-12-5(11)13-15-6/h4H,1-3H2,(H2,11,13).
What are the key properties of 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 238.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).