5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H13FN4S2 — CID 63738353

IUPAC5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccc(F)cc2CN)s1
InChIInChI=1S/C11H13FN4S2/c1-16(2)10-14-15-11(18-10)17-9-4-3-8(12)5-7(9)6-13/h3-5H,6,13H2,1-2H3
InChIKeyGATAGDHYLHMNEY-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.35
Rot. Bonds4

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

5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738353) has the molecular formula C11H13FN4S2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63738353
Molecular FormulaC11H13FN4S2
Molecular Weight284.39 g/mol
Exact Mass284.06
IUPAC Name5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccc(F)cc2CN)s1
InChIInChI=1S/C11H13FN4S2/c1-16(2)10-14-15-11(18-10)17-9-4-3-8(12)5-7(9)6-13/h3-5H,6,13H2,1-2H3
InChIKeyGATAGDHYLHMNEY-UHFFFAOYSA-N
XLogP2.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 9478799
(1R)-1-[5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 28417737
(1S)-1-[5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 28417739
(1R)-1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 28417746
(1S)-1-[2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 28417748
1-[5-Fluoro-2-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 43189277
1-[2-Fluoro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 43189279
N-[(4-fluorophenyl)methyl]-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 52457713
5-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55240190
5-[[2-(aminomethyl)-4-fluorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241054
5-[[4-(aminomethyl)-2-fluorophenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241248
5-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55243373

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63738353) is 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2ccc(F)cc2CN)s1.
What is the InChIKey of 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GATAGDHYLHMNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S2/c1-16(2)10-14-15-11(18-10)17-9-4-3-8(12)5-7(9)6-13/h3-5H,6,13H2,1-2H3.
What are the key properties of 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).