1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide

C9H13ClN4OS — CID 43408269

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C9H13ClN4OS/c10-8-7(12-13-16-8)5-14-3-1-2-6(4-14)9(11)15/h6H,1-5H2,(H2,11,15)
InChIKeyVTXQRDBOBSTRNR-UHFFFAOYSA-N
MW260.75 g/mol
LogP0.89
Rot. Bonds3

About 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide

1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 43408269) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID43408269
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C9H13ClN4OS/c10-8-7(12-13-16-8)5-14-3-1-2-6(4-14)9(11)15/h6H,1-5H2,(H2,11,15)
InChIKeyVTXQRDBOBSTRNR-UHFFFAOYSA-N
XLogP0.89
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide (CID 43408269) is 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2nnsc2Cl)C1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is VTXQRDBOBSTRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c10-8-7(12-13-16-8)5-14-3-1-2-6(4-14)9(11)15/h6H,1-5H2,(H2,11,15).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 260.75 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43408269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).