[5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C13H17FN6S — CID 80601986

IUPAC[5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(CN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C13H17FN6S/c14-10-1-3-11(4-2-10)20-7-5-19(6-8-20)9-12-17-18-13(16-15)21-12/h1-4H,5-9,15H2,(H,16,18)
InChIKeyLQYCPKUOKZLGIY-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.28
Rot. Bonds4

About [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80601986) has the molecular formula C13H17FN6S and a molecular weight of 308.39 g/mol. Its IUPAC name is [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80601986
Molecular FormulaC13H17FN6S
Molecular Weight308.39 g/mol
Exact Mass308.12
IUPAC Name[5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(CN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C13H17FN6S/c14-10-1-3-11(4-2-10)20-7-5-19(6-8-20)9-12-17-18-13(16-15)21-12/h1-4H,5-9,15H2,(H,16,18)
InChIKeyLQYCPKUOKZLGIY-UHFFFAOYSA-N
XLogP1.28
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-5-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 30776386
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 82058182
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171704300
1-(4-fluorophenyl)-4-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 171388409
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 1402444
[5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613685
2-benzyl-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 86879117
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
CID 22762532
[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62245568
2-[4-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamine;dihydrochloride
CID 154892833
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80601986) is [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(CN2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is LQYCPKUOKZLGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6S/c14-10-1-3-11(4-2-10)20-7-5-19(6-8-20)9-12-17-18-13(16-15)21-12/h1-4H,5-9,15H2,(H,16,18).
What are the key properties of [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 308.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80601986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).