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

C16H20FN5OS — CID 1439410

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C16H20FN5OS/c1-2-15-19-20-16(24-15)18-14(23)11-21-7-9-22(10-8-21)13-6-4-3-5-12(13)17/h3-6H,2,7-11H2,1H3,(H,18,20,23)
InChIKeyWREIIJJMZVUAHV-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.00
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 1439410) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID1439410
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C16H20FN5OS/c1-2-15-19-20-16(24-15)18-14(23)11-21-7-9-22(10-8-21)13-6-4-3-5-12(13)17/h3-6H,2,7-11H2,1H3,(H,18,20,23)
InChIKeyWREIIJJMZVUAHV-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide (CID 1439410) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is CCc1nnc(NC(=O)CN2CCN(c3ccccc3F)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is WREIIJJMZVUAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-2-15-19-20-16(24-15)18-14(23)11-21-7-9-22(10-8-21)13-6-4-3-5-12(13)17/h3-6H,2,7-11H2,1H3,(H,18,20,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1439410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).