2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C17H21N5O2S — CID 1135784

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C17H21N5O2S/c1-2-15-19-20-17(25-15)18-14(23)12-21-8-10-22(11-9-21)16(24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,20,23)
InChIKeyWWEUOSMJIOIWDQ-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.50
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1135784) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1135784
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C17H21N5O2S/c1-2-15-19-20-17(25-15)18-14(23)12-21-8-10-22(11-9-21)16(24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,20,23)
InChIKeyWWEUOSMJIOIWDQ-UHFFFAOYSA-N
XLogP1.50
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
2-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1284554
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6468720
N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16188869
N-[5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 946556
N-Benzyl-N'-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1399783
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclohexyl]benzamide
CID 46852578
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]cyclohexyl]benzamide
CID 46852579
N-(5-Methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569553
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569586
2-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-N-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 647970

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1135784) is 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WWEUOSMJIOIWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-2-15-19-20-17(25-15)18-14(23)12-21-8-10-22(11-9-21)16(24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,20,23).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 359.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1135784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).