4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine

C13H16FN5S — CID 62177324

IUPAC4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H16FN5S/c14-10-3-1-2-4-12(10)19-7-5-18(6-8-19)9-11-13(15)20-17-16-11/h1-4H,5-9,15H2
InChIKeyNYMPRZATTGOPHB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.58
Rot. Bonds3

About 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine

4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine (PubChem CID 62177324) has the molecular formula C13H16FN5S and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine
PubChem CID62177324
Molecular FormulaC13H16FN5S
Molecular Weight293.37 g/mol
Exact Mass293.11
IUPAC Name4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H16FN5S/c14-10-3-1-2-4-12(10)19-7-5-18(6-8-19)9-11-13(15)20-17-16-11/h1-4H,5-9,15H2
InChIKeyNYMPRZATTGOPHB-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine (CID 62177324) is 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine is Nc1snnc1CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The InChIKey is NYMPRZATTGOPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5S/c14-10-3-1-2-4-12(10)19-7-5-18(6-8-19)9-11-13(15)20-17-16-11/h1-4H,5-9,15H2.
What are the key properties of 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine has a molecular weight of 293.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62177324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).