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

C10H10FN3S — CID 65269198

IUPAC3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(Cc2cccc(F)c2)ns1
InChIInChI=1S/C10H10FN3S/c1-12-10-13-9(14-15-10)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyIBWRLKVKGNLVHU-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.31
Rot. Bonds3

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

3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65269198) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65269198
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(Cc2cccc(F)c2)ns1
InChIInChI=1S/C10H10FN3S/c1-12-10-13-9(14-15-10)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyIBWRLKVKGNLVHU-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-fluorophenyl)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

Related Compounds

N-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]butan-2-yl]-4-methoxybenzenesulfonamide
CID 90953926
5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054555
N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521917
N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65269019
3-[[5-[2-(4-fluorophenyl)propylamino]-1,2,4-thiadiazol-3-yl]methyl]phenol
CID 71281577
N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269206
N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 66879142
1-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]hexane-1,6-diamine
CID 90923751
2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66304332
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine
CID 112716202

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 65269198) is 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(Cc2cccc(F)c2)ns1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IBWRLKVKGNLVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-12-10-13-9(14-15-10)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 223.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).