5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole

C19H19FN4S — CID 163212402

IUPAC5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
SMILESFc1ccccc1-c1snnc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H19FN4S/c20-17-9-5-4-8-16(17)19-18(21-22-25-19)14-23-10-12-24(13-11-23)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyWBKNZYVICINZDO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.67
Rot. Bonds4

About 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole

5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole (PubChem CID 163212402) has the molecular formula C19H19FN4S and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
PubChem CID163212402
Molecular FormulaC19H19FN4S
Molecular Weight354.45 g/mol
Exact Mass354.13
IUPAC Name5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
SMILESFc1ccccc1-c1snnc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H19FN4S/c20-17-9-5-4-8-16(17)19-18(21-22-25-19)14-23-10-12-24(13-11-23)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyWBKNZYVICINZDO-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 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole (CID 163212402) is 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole is Fc1ccccc1-c1snnc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole?
The InChIKey is WBKNZYVICINZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4S/c20-17-9-5-4-8-16(17)19-18(21-22-25-19)14-23-10-12-24(13-11-23)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole?
5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole 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 5-(2-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 163212402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).