5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine

C6H9F3N4S — CID 66281218

IUPAC5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1nc(N)ns1
InChIInChI=1S/C6H9F3N4S/c1-13(3-2-6(7,8)9)5-11-4(10)12-14-5/h2-3H2,1H3,(H2,10,12)
InChIKeyIFVKOGQRRDODJM-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.51
Rot. Bonds3

About 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine

5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66281218) has the molecular formula C6H9F3N4S and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66281218
Molecular FormulaC6H9F3N4S
Molecular Weight226.23 g/mol
Exact Mass226.05
IUPAC Name5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1nc(N)ns1
InChIInChI=1S/C6H9F3N4S/c1-13(3-2-6(7,8)9)5-11-4(10)12-14-5/h2-3H2,1H3,(H2,10,12)
InChIKeyIFVKOGQRRDODJM-UHFFFAOYSA-N
XLogP1.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine (CID 66281218) is 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine is CN(CCC(F)(F)F)c1nc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is IFVKOGQRRDODJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4S/c1-13(3-2-6(7,8)9)5-11-4(10)12-14-5/h2-3H2,1H3,(H2,10,12).
What are the key properties of 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 226.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66281218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).