[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine

C13H18N6S — CID 62245568

IUPAC[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H18N6S/c14-15-13-12(16-17-20-13)10-18-6-8-19(9-7-18)11-4-2-1-3-5-11/h1-5,15H,6-10,14H2
InChIKeyYXNYSXAZUZXITQ-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.15
Rot. Bonds4

About [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine

[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 62245568) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine
PubChem CID62245568
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H18N6S/c14-15-13-12(16-17-20-13)10-18-6-8-19(9-7-18)11-4-2-1-3-5-11/h1-5,15H,6-10,14H2
InChIKeyYXNYSXAZUZXITQ-UHFFFAOYSA-N
XLogP1.15
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.15
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

5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 39975318
[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62245571
2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397339
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylazepan-4-ol
CID 107408610
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
[4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62244417
[4-(benzimidazol-1-ylmethyl)thiadiazol-5-yl]hydrazine
CID 62246338
5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 163212406
7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095395
[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 82055072
[4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)methyl]thiadiazol-5-yl]hydrazine
CID 107342830
4-(1,3-dihydroisoindol-2-ylmethyl)-N-ethylthiadiazol-5-amine
CID 62231992

Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine (CID 62245568) is [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine is NNc1snnc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is YXNYSXAZUZXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c14-15-13-12(16-17-20-13)10-18-6-8-19(9-7-18)11-4-2-1-3-5-11/h1-5,15H,6-10,14H2.
What are the key properties of [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine?
[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 290.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).