1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one

C8H11N3OS — CID 65209260

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one
SMILESCc1nnc(N2CCC(=O)CC2)s1
InChIInChI=1S/C8H11N3OS/c1-6-9-10-8(13-6)11-4-2-7(12)3-5-11/h2-5H2,1H3
InChIKeyBKVBQUYBMLXRLW-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.02
Rot. Bonds1

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one

1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one (PubChem CID 65209260) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one
PubChem CID65209260
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one
SMILESCc1nnc(N2CCC(=O)CC2)s1
InChIInChI=1S/C8H11N3OS/c1-6-9-10-8(13-6)11-4-2-7(12)3-5-11/h2-5H2,1H3
InChIKeyBKVBQUYBMLXRLW-UHFFFAOYSA-N
XLogP1.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one (CID 65209260) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one is Cc1nnc(N2CCC(=O)CC2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one?
The InChIKey is BKVBQUYBMLXRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-6-9-10-8(13-6)11-4-2-7(12)3-5-11/h2-5H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one?
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one has a molecular weight of 197.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one is sourced from PubChem (CID 65209260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).