4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine

C11H19F3N4S — CID 55046267

IUPAC4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N4S/c1-4-5-15-10-9(16-17-19-10)6-18(8(2)3)7-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyOQBIRMACGSWHCQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.13
Rot. Bonds7

About 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046267) has the molecular formula C11H19F3N4S and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID55046267
Molecular FormulaC11H19F3N4S
Molecular Weight296.36 g/mol
Exact Mass296.13
IUPAC Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N4S/c1-4-5-15-10-9(16-17-19-10)6-18(8(2)3)7-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyOQBIRMACGSWHCQ-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

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Frequently Asked Questions

What is the IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 55046267) is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is OQBIRMACGSWHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4S/c1-4-5-15-10-9(16-17-19-10)6-18(8(2)3)7-11(12,13)14/h8,15H,4-7H2,1-3H3.
What are the key properties of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-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 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).