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

C16H20FN5OS — CID 71983386

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
SMILESCc1nsc(N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H20FN5OS/c1-12-19-16(24-20-12)22-8-6-21(7-9-22)11-15(23)18-10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3,(H,18,23)
InChIKeyKSKGGKBVJMLSHP-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.42
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide (PubChem CID 71983386) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
PubChem CID71983386
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
SMILESCc1nsc(N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H20FN5OS/c1-12-19-16(24-20-12)22-8-6-21(7-9-22)11-15(23)18-10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3,(H,18,23)
InChIKeyKSKGGKBVJMLSHP-UHFFFAOYSA-N
XLogP1.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide (CID 71983386) is N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide is Cc1nsc(N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide?
The InChIKey is KSKGGKBVJMLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-12-19-16(24-20-12)22-8-6-21(7-9-22)11-15(23)18-10-13-2-4-14(17)5-3-13/h2-5H,6-11H2,1H3,(H,18,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71983386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).