1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide

C9H11ClN4O2S — CID 80625054

IUPAC1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C9H11ClN4O2S/c10-9-13-12-7(17-9)8(16)14-3-1-5(2-4-14)6(11)15/h5H,1-4H2,(H2,11,15)
InChIKeyAFOHLUAGQQXGGT-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.53
Rot. Bonds2

About 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide

1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 80625054) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
PubChem CID80625054
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC Name1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C9H11ClN4O2S/c10-9-13-12-7(17-9)8(16)14-3-1-5(2-4-14)6(11)15/h5H,1-4H2,(H2,11,15)
InChIKeyAFOHLUAGQQXGGT-UHFFFAOYSA-N
XLogP0.53
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide (CID 80625054) is 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2nnc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is AFOHLUAGQQXGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c10-9-13-12-7(17-9)8(16)14-3-1-5(2-4-14)6(11)15/h5H,1-4H2,(H2,11,15).
What are the key properties of 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide?
1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 274.73 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 80625054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).