4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

C20H27N5O2S — CID 56920172

IUPAC4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C20H27N5O2S/c1-3-24(4-2)20(27)25-12-10-16(11-13-25)18(26)21-19-23-22-17(28-19)14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,21,23,26)
InChIKeyANAAGWQLNABYRA-UHFFFAOYSA-N
MW401.54 g/mol
LogP3.24
Rot. Bonds6

About 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (PubChem CID 56920172) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
PubChem CID56920172
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C20H27N5O2S/c1-3-24(4-2)20(27)25-12-10-16(11-13-25)18(26)21-19-23-22-17(28-19)14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,21,23,26)
InChIKeyANAAGWQLNABYRA-UHFFFAOYSA-N
XLogP3.24
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-diethyl-4-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
CID 56922742
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 18141586
(3R)-3-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161596
1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
CID 94858097
1-[[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122079781
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
(3R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352606
4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55683199
(3S)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9399696
1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide
CID 46428887
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17152495

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (CID 56920172) is 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1.
What is the InChIKey of 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The InChIKey is ANAAGWQLNABYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-3-24(4-2)20(27)25-12-10-16(11-13-25)18(26)21-19-23-22-17(28-19)14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,21,23,26).
What are the key properties of 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide has a molecular weight of 401.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 56920172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).