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

C7H11F3N4S — CID 66279236

IUPAC5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC(C)N(CC(F)(F)F)c1nc(N)ns1
InChIInChI=1S/C7H11F3N4S/c1-4(2)14(3-7(8,9)10)6-12-5(11)13-15-6/h4H,3H2,1-2H3,(H2,11,13)
InChIKeyJXLVLUXLKIAOTL-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.90
Rot. Bonds3

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

5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279236) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279236
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC Name5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC(C)N(CC(F)(F)F)c1nc(N)ns1
InChIInChI=1S/C7H11F3N4S/c1-4(2)14(3-7(8,9)10)6-12-5(11)13-15-6/h4H,3H2,1-2H3,(H2,11,13)
InChIKeyJXLVLUXLKIAOTL-UHFFFAOYSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66279236) is 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine is CC(C)N(CC(F)(F)F)c1nc(N)ns1.
What is the InChIKey of 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is JXLVLUXLKIAOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-4(2)14(3-7(8,9)10)6-12-5(11)13-15-6/h4H,3H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 240.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).