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

C9H9FN4S — CID 170765507

IUPACN-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine
SMILESNCc1cc(F)cc(Nc2nncs2)c1
InChIInChI=1S/C9H9FN4S/c10-7-1-6(4-11)2-8(3-7)13-9-14-12-5-15-9/h1-3,5H,4,11H2,(H,13,14)
InChIKeyNEZONQGMALRGTA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.88
Rot. Bonds3

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

N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 170765507) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine
PubChem CID170765507
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC NameN-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine
SMILESNCc1cc(F)cc(Nc2nncs2)c1
InChIInChI=1S/C9H9FN4S/c10-7-1-6(4-11)2-8(3-7)13-9-14-12-5-15-9/h1-3,5H,4,11H2,(H,13,14)
InChIKeyNEZONQGMALRGTA-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-1,3,4-thiadiazol-2-amine
CID 767363
1-Phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea
CID 870537
N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2392034
N-[3,5-bis(trifluoromethyl)phenyl]-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine
CID 2731529
N~2~-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine
CID 56696283
2-[[5-(3-Methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 2390094
N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 91458622
2-(3-Methylphenylamino)-5-(i-butyldisulfanyl)-1,3,4-thiadiazole
CID 141480185
2-(3-Methylphenylamino)-5-(n-butyldisulfanyl)-1,3,4-thiadiazole
CID 141480186
3-{5-[Butyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-[3-(trifluoromethyl)phenyl]urea
CID 22510559
N-(2-(aminomethyl)-5-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 21069983
1-(1,3,4-Thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 21498379

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine (CID 170765507) is N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine is NCc1cc(F)cc(Nc2nncs2)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NEZONQGMALRGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c10-7-1-6(4-11)2-8(3-7)13-9-14-12-5-15-9/h1-3,5H,4,11H2,(H,13,14).
What are the key properties of N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine?
N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-fluorophenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 170765507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).