5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine

C9H14F3N5S — CID 66278555

IUPAC5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C9H14F3N5S/c10-9(11,12)5-17-2-1-6(4-17)3-14-8-15-7(13)16-18-8/h6H,1-5H2,(H3,13,14,15,16)
InChIKeyDHZNCLAYCOXVOQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.42
Rot. Bonds4

About 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278555) has the molecular formula C9H14F3N5S and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278555
Molecular FormulaC9H14F3N5S
Molecular Weight281.31 g/mol
Exact Mass281.09
IUPAC Name5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C9H14F3N5S/c10-9(11,12)5-17-2-1-6(4-17)3-14-8-15-7(13)16-18-8/h6H,1-5H2,(H3,13,14,15,16)
InChIKeyDHZNCLAYCOXVOQ-UHFFFAOYSA-N
XLogP1.42
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine (CID 66278555) is 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is DHZNCLAYCOXVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5S/c10-9(11,12)5-17-2-1-6(4-17)3-14-8-15-7(13)16-18-8/h6H,1-5H2,(H3,13,14,15,16).
What are the key properties of 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 281.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).