4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole

C20H19ClF2N4S — CID 39975556

IUPAC4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole
SMILESFc1ccc(C(c2ccc(F)cc2)N2CCN(Cc3nnsc3Cl)CC2)cc1
InChIInChI=1S/C20H19ClF2N4S/c21-20-18(24-25-28-20)13-26-9-11-27(12-10-26)19(14-1-5-16(22)6-2-14)15-3-7-17(23)8-4-15/h1-8,19H,9-13H2
InChIKeyBUKLYQIGVYPUEX-UHFFFAOYSA-N
MW420.92 g/mol
LogP4.38
Rot. Bonds5

About 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole

4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole (PubChem CID 39975556) has the molecular formula C20H19ClF2N4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole.

Molecular Properties

Compound Name4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole
PubChem CID39975556
Molecular FormulaC20H19ClF2N4S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole
SMILESFc1ccc(C(c2ccc(F)cc2)N2CCN(Cc3nnsc3Cl)CC2)cc1
InChIInChI=1S/C20H19ClF2N4S/c21-20-18(24-25-28-20)13-26-9-11-27(12-10-26)19(14-1-5-16(22)6-2-14)15-3-7-17(23)8-4-15/h1-8,19H,9-13H2
InChIKeyBUKLYQIGVYPUEX-UHFFFAOYSA-N
XLogP4.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole?
The IUPAC name of 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole (CID 39975556) is 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole.
What is the SMILES notation for 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole?
The canonical SMILES for 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole is Fc1ccc(C(c2ccc(F)cc2)N2CCN(Cc3nnsc3Cl)CC2)cc1.
What is the InChIKey of 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole?
The InChIKey is BUKLYQIGVYPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4S/c21-20-18(24-25-28-20)13-26-9-11-27(12-10-26)19(14-1-5-16(22)6-2-14)15-3-7-17(23)8-4-15/h1-8,19H,9-13H2.
What are the key properties of 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole?
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole has a molecular weight of 420.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole is sourced from PubChem (CID 39975556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).