4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole

C19H19FN4S — CID 163212412

IUPAC4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole
SMILESFc1cccc(N2CCN(Cc3nnsc3-c3ccccc3)CC2)c1
InChIInChI=1S/C19H19FN4S/c20-16-7-4-8-17(13-16)24-11-9-23(10-12-24)14-18-19(25-22-21-18)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyHDHSLDUVDKWKAC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.67
Rot. Bonds4

About 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole

4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole (PubChem CID 163212412) has the molecular formula C19H19FN4S and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole.

Molecular Properties

Compound Name4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole
PubChem CID163212412
Molecular FormulaC19H19FN4S
Molecular Weight354.45 g/mol
Exact Mass354.13
IUPAC Name4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole
SMILESFc1cccc(N2CCN(Cc3nnsc3-c3ccccc3)CC2)c1
InChIInChI=1S/C19H19FN4S/c20-16-7-4-8-17(13-16)24-11-9-23(10-12-24)14-18-19(25-22-21-18)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyHDHSLDUVDKWKAC-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole?
The IUPAC name of 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole (CID 163212412) is 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole.
What is the SMILES notation for 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole?
The canonical SMILES for 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole is Fc1cccc(N2CCN(Cc3nnsc3-c3ccccc3)CC2)c1.
What is the InChIKey of 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole?
The InChIKey is HDHSLDUVDKWKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4S/c20-16-7-4-8-17(13-16)24-11-9-23(10-12-24)14-18-19(25-22-21-18)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2.
What are the key properties of 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole?
4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole has a molecular weight of 354.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole is sourced from PubChem (CID 163212412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).