1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

C15H17N5O2S — CID 56808851

IUPAC1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C15H17N5O2S/c16-12(21)10-6-8-20(9-7-10)15(22)17-14-19-18-13(23-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,16,21)(H,17,19,22)
InChIKeyJGCNSIIHUKJTIM-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.93
Rot. Bonds3

About 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 56808851) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID56808851
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C15H17N5O2S/c16-12(21)10-6-8-20(9-7-10)15(22)17-14-19-18-13(23-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,16,21)(H,17,19,22)
InChIKeyJGCNSIIHUKJTIM-UHFFFAOYSA-N
XLogP1.93
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
CID 94153836
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
1-[(E)-3-phenylprop-2-enoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17491972
1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077501
1-(furan-3-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 35713952
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044444
4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51119005
(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 75467005
1-[(2-chlorophenyl)methylsulfonyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 100506796
1-(4-methylsulfanylphenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 100710873

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (CID 56808851) is 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1.
What is the InChIKey of 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is JGCNSIIHUKJTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c16-12(21)10-6-8-20(9-7-10)15(22)17-14-19-18-13(23-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,16,21)(H,17,19,22).
What are the key properties of 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56808851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).