4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine

C12H15FN4S — CID 62207899

IUPAC4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)Cc1ccccc1F
InChIInChI=1S/C12H15FN4S/c1-14-12-11(15-16-18-12)8-17(2)7-9-5-3-4-6-10(9)13/h3-6,14H,7-8H2,1-2H3
InChIKeyYHVWYIDSZHPCFL-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.35
Rot. Bonds5

About 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine

4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62207899) has the molecular formula C12H15FN4S and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62207899
Molecular FormulaC12H15FN4S
Molecular Weight266.35 g/mol
Exact Mass266.10
IUPAC Name4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)Cc1ccccc1F
InChIInChI=1S/C12H15FN4S/c1-14-12-11(15-16-18-12)8-17(2)7-9-5-3-4-6-10(9)13/h3-6,14H,7-8H2,1-2H3
InChIKeyYHVWYIDSZHPCFL-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-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 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine (CID 62207899) is 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(C)Cc1ccccc1F.
What is the InChIKey of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is YHVWYIDSZHPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-14-12-11(15-16-18-12)8-17(2)7-9-5-3-4-6-10(9)13/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 266.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62207899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).