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

C11H19F3N4S — CID 80606785

IUPAC5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C11H19F3N4S/c1-4-5-15-10-17-16-9(19-10)6-18(8(2)3)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)
InChIKeyRFIMQGPVCVHEEC-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.13
Rot. Bonds7

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

5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606785) has the molecular formula C11H19F3N4S and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80606785
Molecular FormulaC11H19F3N4S
Molecular Weight296.36 g/mol
Exact Mass296.13
IUPAC Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C11H19F3N4S/c1-4-5-15-10-17-16-9(19-10)6-18(8(2)3)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)
InChIKeyRFIMQGPVCVHEEC-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine 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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80606785) is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN(CC(F)(F)F)C(C)C)s1.
What is the InChIKey of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RFIMQGPVCVHEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4S/c1-4-5-15-10-17-16-9(19-10)6-18(8(2)3)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 296.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).