1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one

C8H10ClN3OS — CID 43625594

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1nnsc1Cl
InChIInChI=1S/C8H10ClN3OS/c9-8-6(10-11-14-8)5-12-4-2-1-3-7(12)13/h1-5H2
InChIKeyPDBRNCODMUROIN-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.70
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one

1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one (PubChem CID 43625594) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one
PubChem CID43625594
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1nnsc1Cl
InChIInChI=1S/C8H10ClN3OS/c9-8-6(10-11-14-8)5-12-4-2-1-3-7(12)13/h1-5H2
InChIKeyPDBRNCODMUROIN-UHFFFAOYSA-N
XLogP1.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one (CID 43625594) is 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one is O=C1CCCCN1Cc1nnsc1Cl.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one?
The InChIKey is PDBRNCODMUROIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-8-6(10-11-14-8)5-12-4-2-1-3-7(12)13/h1-5H2.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one?
1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one has a molecular weight of 231.71 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 43625594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).