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

C8H11F3N4S — CID 62182446

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESNc1snnc1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)4-15(5-1-2-5)3-6-7(12)16-14-13-6/h5H,1-4,12H2
InChIKeyNDPRMWGEHNPNEP-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.65
Rot. Bonds4

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

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62182446) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
PubChem CID62182446
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESNc1snnc1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)4-15(5-1-2-5)3-6-7(12)16-14-13-6/h5H,1-4,12H2
InChIKeyNDPRMWGEHNPNEP-UHFFFAOYSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
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
N-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183147

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (CID 62182446) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is Nc1snnc1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is NDPRMWGEHNPNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)4-15(5-1-2-5)3-6-7(12)16-14-13-6/h5H,1-4,12H2.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 252.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).