N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

C7H10F3N3S — CID 79964532

IUPACN-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CCC(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3S/c1-2-11-6-12-5(13-14-6)3-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyOEWKNQLZZFVSDR-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.46
Rot. Bonds4

About N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 79964532) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID79964532
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC NameN-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CCC(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3S/c1-2-11-6-12-5(13-14-6)3-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyOEWKNQLZZFVSDR-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (CID 79964532) is N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(CCC(F)(F)F)ns1.
What is the InChIKey of N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OEWKNQLZZFVSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-2-11-6-12-5(13-14-6)3-4-7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 225.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79964532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).