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

C14H18FN5S — CID 79760682

IUPAC[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CN2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C14H18FN5S/c15-12-3-1-2-4-13(12)20-7-5-19(6-8-20)10-11-9-17-14(18-16)21-11/h1-4,9H,5-8,10,16H2,(H,17,18)
InChIKeyYWDLEPFXABNCAZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.89
Rot. Bonds4

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

[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79760682) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79760682
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC Name[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CN2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C14H18FN5S/c15-12-3-1-2-4-13(12)20-7-5-19(6-8-20)10-11-9-17-14(18-16)21-11/h1-4,9H,5-8,10,16H2,(H,17,18)
InChIKeyYWDLEPFXABNCAZ-UHFFFAOYSA-N
XLogP1.89
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine (CID 79760682) is [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(CN2CCN(c3ccccc3F)CC2)s1.
What is the InChIKey of [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is YWDLEPFXABNCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5S/c15-12-3-1-2-4-13(12)20-7-5-19(6-8-20)10-11-9-17-14(18-16)21-11/h1-4,9H,5-8,10,16H2,(H,17,18).
What are the key properties of [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 307.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79760682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).