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

C11H19F3N4S — CID 62182106

IUPACN-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1CN(CCC)CC(F)(F)F
InChIInChI=1S/C11H19F3N4S/c1-3-5-15-10-9(16-17-19-10)7-18(6-4-2)8-11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyKUKHORFQBIOXRB-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.13
Rot. Bonds8

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

N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62182106) has the molecular formula C11H19F3N4S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
PubChem CID62182106
Molecular FormulaC11H19F3N4S
Molecular Weight296.36 g/mol
Exact Mass296.13
IUPAC NameN-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1CN(CCC)CC(F)(F)F
InChIInChI=1S/C11H19F3N4S/c1-3-5-15-10-9(16-17-19-10)7-18(6-4-2)8-11(12,13)14/h15H,3-8H2,1-2H3
InChIKeyKUKHORFQBIOXRB-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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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Related Compounds

5-Piperazin-1-yl-4-(trifluoromethyl)thiadiazole
CID 141371462
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046267
N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62181921
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182446
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182803
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182806
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182960
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 62182981
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182982

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (CID 62182106) is N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is CCCNc1snnc1CN(CCC)CC(F)(F)F.
What is the InChIKey of N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is KUKHORFQBIOXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4S/c1-3-5-15-10-9(16-17-19-10)7-18(6-4-2)8-11(12,13)14/h15H,3-8H2,1-2H3.
What are the key properties of N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 296.36 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).