N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine

C9H15F3N4S — CID 55046411

IUPACN-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(Cc1nnsc1NC)CC(F)(F)F
InChIInChI=1S/C9H15F3N4S/c1-3-4-16(6-9(10,11)12)5-7-8(13-2)17-15-14-7/h13H,3-6H2,1-2H3
InChIKeyFRUJCVJFXBISID-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.35
Rot. Bonds6

About N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine

N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (PubChem CID 55046411) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
PubChem CID55046411
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC NameN-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(Cc1nnsc1NC)CC(F)(F)F
InChIInChI=1S/C9H15F3N4S/c1-3-4-16(6-9(10,11)12)5-7-8(13-2)17-15-14-7/h13H,3-6H2,1-2H3
InChIKeyFRUJCVJFXBISID-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (CID 55046411) is N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is CCCN(Cc1nnsc1NC)CC(F)(F)F.
What is the InChIKey of N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is FRUJCVJFXBISID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-3-4-16(6-9(10,11)12)5-7-8(13-2)17-15-14-7/h13H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 268.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 55046411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).