3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine

C4H7FN3PS — CID 174154428

IUPAC3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C(F)P)ns1
InChIInChI=1S/C4H7FN3PS/c1-6-4-7-3(2(5)9)8-10-4/h2H,9H2,1H3,(H,6,7,8)
InChIKeyZKGMEEGFGGAMQL-UHFFFAOYSA-N
MW179.16 g/mol
LogP1.42
Rot. Bonds2

About 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine

3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 174154428) has the molecular formula C4H7FN3PS and a molecular weight of 179.16 g/mol. Its IUPAC name is 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID174154428
Molecular FormulaC4H7FN3PS
Molecular Weight179.16 g/mol
Exact Mass179.01
IUPAC Name3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C(F)P)ns1
InChIInChI=1S/C4H7FN3PS/c1-6-4-7-3(2(5)9)8-10-4/h2H,9H2,1H3,(H,6,7,8)
InChIKeyZKGMEEGFGGAMQL-UHFFFAOYSA-N
XLogP1.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[fluoro(phosphanyl)methyl]-N-methyl-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 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 174154428) is 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(C(F)P)ns1.
What is the InChIKey of 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZKGMEEGFGGAMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN3PS/c1-6-4-7-3(2(5)9)8-10-4/h2H,9H2,1H3,(H,6,7,8).
What are the key properties of 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 179.16 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(phosphanyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 174154428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).