1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one

C9H14N4OS — CID 104680382

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2nnc(N)s2)C1=O
InChIInChI=1S/C9H14N4OS/c1-6-3-2-4-13(8(6)14)5-7-11-12-9(10)15-7/h6H,2-5H2,1H3,(H2,10,12)
InChIKeyVWJNVLJXROMNFX-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.88
Rot. Bonds2

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one (PubChem CID 104680382) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one
PubChem CID104680382
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2nnc(N)s2)C1=O
InChIInChI=1S/C9H14N4OS/c1-6-3-2-4-13(8(6)14)5-7-11-12-9(10)15-7/h6H,2-5H2,1H3,(H2,10,12)
InChIKeyVWJNVLJXROMNFX-UHFFFAOYSA-N
XLogP0.88
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one (CID 104680382) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one is CC1CCCN(Cc2nnc(N)s2)C1=O.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one?
The InChIKey is VWJNVLJXROMNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-3-2-4-13(8(6)14)5-7-11-12-9(10)15-7/h6H,2-5H2,1H3,(H2,10,12).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one has a molecular weight of 226.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).