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

C17H20FN5O2S — CID 138031283

IUPAC2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1ccc(F)cc1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1
InChIInChI=1S/C17H20FN5O2S/c1-2-12-3-4-13(18)9-14(12)16(25)23-7-5-22(6-8-23)10-15(24)20-17-21-19-11-26-17/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,21,24)
InChIKeyMUOXKWXAHQIIPW-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.64
Rot. Bonds5

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

2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 138031283) has the molecular formula C17H20FN5O2S and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID138031283
Molecular FormulaC17H20FN5O2S
Molecular Weight377.45 g/mol
Exact Mass377.13
IUPAC Name2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1ccc(F)cc1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1
InChIInChI=1S/C17H20FN5O2S/c1-2-12-3-4-13(18)9-14(12)16(25)23-7-5-22(6-8-23)10-15(24)20-17-21-19-11-26-17/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,21,24)
InChIKeyMUOXKWXAHQIIPW-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851954
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22195495
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455431
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[4-(2,5-difluorobenzoyl)piperazin-1-yl]ethanethioamide
CID 63336111
2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455494
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 36875697
N-(2-ethylphenyl)-2-[4-(6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78904702
2-[4-(2-acetamido-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 39006102

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 138031283) is 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is CCc1ccc(F)cc1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1.
What is the InChIKey of 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MUOXKWXAHQIIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2S/c1-2-12-3-4-13(18)9-14(12)16(25)23-7-5-22(6-8-23)10-15(24)20-17-21-19-11-26-17/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,21,24).
What are the key properties of 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 138031283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).