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

C10H15F3N4S — CID 65267507

IUPAC3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C10H15F3N4S/c1-7-15-9(18-16-7)14-4-8-2-3-17(5-8)6-10(11,12)13/h8H,2-6H2,1H3,(H,14,15,16)
InChIKeyLYGAJDVGJQSLCT-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.14
Rot. Bonds4

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

3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65267507) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65267507
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C10H15F3N4S/c1-7-15-9(18-16-7)14-4-8-2-3-17(5-8)6-10(11,12)13/h8H,2-6H2,1H3,(H,14,15,16)
InChIKeyLYGAJDVGJQSLCT-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 65267507) is 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LYGAJDVGJQSLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-7-15-9(18-16-7)14-4-8-2-3-17(5-8)6-10(11,12)13/h8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).