1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide

C10H15ClN4OS — CID 24580197

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C10H15ClN4OS/c1-12-10(16)7-2-4-15(5-3-7)6-8-9(11)17-14-13-8/h7H,2-6H2,1H3,(H,12,16)
InChIKeyVSOAMFSRNRFFKU-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.15
Rot. Bonds3

About 1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide

1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 24580197) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID24580197
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C10H15ClN4OS/c1-12-10(16)7-2-4-15(5-3-7)6-8-9(11)17-14-13-8/h7H,2-6H2,1H3,(H,12,16)
InChIKeyVSOAMFSRNRFFKU-UHFFFAOYSA-N
XLogP1.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 51.15
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]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide (CID 24580197) is 1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is VSOAMFSRNRFFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-12-10(16)7-2-4-15(5-3-7)6-8-9(11)17-14-13-8/h7H,2-6H2,1H3,(H,12,16).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide?
1-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 274.78 g/mol, XLogP of 1.15, 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]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24580197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).