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

C21H22ClN5OS — CID 133451787

IUPAC2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CN1CCN(c2nnc(Cc3ccccc3)s2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5OS/c22-17-6-8-18(9-7-17)23-19(28)15-26-10-12-27(13-11-26)21-25-24-20(29-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,28)
InChIKeyMYDKPGWXLPDHQT-UHFFFAOYSA-N
MW427.96 g/mol
LogP3.54
Rot. Bonds6

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

2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 133451787) has the molecular formula C21H22ClN5OS and a molecular weight of 427.96 g/mol. Its IUPAC name is 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID133451787
Molecular FormulaC21H22ClN5OS
Molecular Weight427.96 g/mol
Exact Mass427.12
IUPAC Name2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CN1CCN(c2nnc(Cc3ccccc3)s2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5OS/c22-17-6-8-18(9-7-17)23-19(28)15-26-10-12-27(13-11-26)21-25-24-20(29-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,28)
InChIKeyMYDKPGWXLPDHQT-UHFFFAOYSA-N
XLogP3.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133452114
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N-methylacetamide
CID 133466082
N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30863368
[4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499216
N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133418047
N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
CID 137275978
2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 141339870
2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 46856173
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-(4-benzyl-1,4-diazepan-1-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133466273
N-(3,4-dichlorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136524
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide (CID 133451787) is 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide is O=C(CN1CCN(c2nnc(Cc3ccccc3)s2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is MYDKPGWXLPDHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5OS/c22-17-6-8-18(9-7-17)23-19(28)15-26-10-12-27(13-11-26)21-25-24-20(29-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,23,28).
What are the key properties of 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide?
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 427.96 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 133451787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).