2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole

C15H17FN6S — CID 126858621

IUPAC2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESFc1ccc2c(c1)ncn2CCN1CCN(c2nncs2)CC1
InChIInChI=1S/C15H17FN6S/c16-12-1-2-14-13(9-12)17-10-22(14)8-5-20-3-6-21(7-4-20)15-19-18-11-23-15/h1-2,9-11H,3-8H2
InChIKeyVEDXZQITQDTVJJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.85
Rot. Bonds4

About 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole

2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 126858621) has the molecular formula C15H17FN6S and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID126858621
Molecular FormulaC15H17FN6S
Molecular Weight332.41 g/mol
Exact Mass332.12
IUPAC Name2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESFc1ccc2c(c1)ncn2CCN1CCN(c2nncs2)CC1
InChIInChI=1S/C15H17FN6S/c16-12-1-2-14-13(9-12)17-10-22(14)8-5-20-3-6-21(7-4-20)15-19-18-11-23-15/h1-2,9-11H,3-8H2
InChIKeyVEDXZQITQDTVJJ-UHFFFAOYSA-N
XLogP1.85
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole (CID 126858621) is 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole is Fc1ccc2c(c1)ncn2CCN1CCN(c2nncs2)CC1.
What is the InChIKey of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is VEDXZQITQDTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6S/c16-12-1-2-14-13(9-12)17-10-22(14)8-5-20-3-6-21(7-4-20)15-19-18-11-23-15/h1-2,9-11H,3-8H2.
What are the key properties of 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole?
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 332.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126858621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).