2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C20H20FN5OS — CID 653858

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H20FN5OS/c21-16-6-8-17(9-7-16)26-12-10-25(11-13-26)14-18(27)22-20-24-23-19(28-20)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24,27)
InChIKeyPKOLGVAIEUHHCH-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 653858) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID653858
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H20FN5OS/c21-16-6-8-17(9-7-16)26-12-10-25(11-13-26)14-18(27)22-20-24-23-19(28-20)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24,27)
InChIKeyPKOLGVAIEUHHCH-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 653858) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PKOLGVAIEUHHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-16-6-8-17(9-7-16)26-12-10-25(11-13-26)14-18(27)22-20-24-23-19(28-20)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24,27).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 653858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).