(1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine

C6H8F3N3S — CID 131142288

IUPAC(1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine
SMILESCc1nnsc1[C@@H](N)CC(F)(F)F
InChIInChI=1S/C6H8F3N3S/c1-3-5(13-12-11-3)4(10)2-6(7,8)9/h4H,2,10H2,1H3/t4-/m0/s1
InChIKeyZFHSFQBSIGUNET-BYPYZUCNSA-N
MW211.21 g/mol
LogP1.80
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine

(1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine (PubChem CID 131142288) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine
PubChem CID131142288
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name(1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine
SMILESCc1nnsc1[C@@H](N)CC(F)(F)F
InChIInChI=1S/C6H8F3N3S/c1-3-5(13-12-11-3)4(10)2-6(7,8)9/h4H,2,10H2,1H3/t4-/m0/s1
InChIKeyZFHSFQBSIGUNET-BYPYZUCNSA-N
XLogP1.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-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 (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine (CID 131142288) is (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine is Cc1nnsc1[C@@H](N)CC(F)(F)F.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine?
The InChIKey is ZFHSFQBSIGUNET-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-3-5(13-12-11-3)4(10)2-6(7,8)9/h4H,2,10H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine has a molecular weight of 211.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 131142288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).