1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine

C22H21FN6S — CID 36726239

IUPAC1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESFc1ccccc1-c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)s1
InChIInChI=1S/C22H21FN6S/c23-20-9-5-4-8-19(20)21-11-10-18(30-21)16-27-12-14-28(15-13-27)22-24-25-26-29(22)17-6-2-1-3-7-17/h1-11H,12-16H2
InChIKeyFBDWFSQYVWFEFG-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.85
Rot. Bonds5

About 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine

1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 36726239) has the molecular formula C22H21FN6S and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID36726239
Molecular FormulaC22H21FN6S
Molecular Weight420.52 g/mol
Exact Mass420.15
IUPAC Name1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESFc1ccccc1-c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)s1
InChIInChI=1S/C22H21FN6S/c23-20-9-5-4-8-19(20)21-11-10-18(30-21)16-27-12-14-28(15-13-27)22-24-25-26-29(22)17-6-2-1-3-7-17/h1-11H,12-16H2
InChIKeyFBDWFSQYVWFEFG-UHFFFAOYSA-N
XLogP3.85
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine (CID 36726239) is 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine is Fc1ccccc1-c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)s1.
What is the InChIKey of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is FBDWFSQYVWFEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6S/c23-20-9-5-4-8-19(20)21-11-10-18(30-21)16-27-12-14-28(15-13-27)22-24-25-26-29(22)17-6-2-1-3-7-17/h1-11H,12-16H2.
What are the key properties of 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine?
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 420.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 36726239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).