7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C13H18N4OS — CID 9444155

IUPAC7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(CN3CCC(C)CC3)sc2n1
InChIInChI=1S/C13H18N4OS/c1-9-3-5-16(6-4-9)8-11-15-17-12(18)7-10(2)14-13(17)19-11/h7,9H,3-6,8H2,1-2H3
InChIKeyFKOZRICBYZPIFM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.69
Rot. Bonds2

About 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 9444155) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID9444155
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(CN3CCC(C)CC3)sc2n1
InChIInChI=1S/C13H18N4OS/c1-9-3-5-16(6-4-9)8-11-15-17-12(18)7-10(2)14-13(17)19-11/h7,9H,3-6,8H2,1-2H3
InChIKeyFKOZRICBYZPIFM-UHFFFAOYSA-N
XLogP1.69
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 9444155) is 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(CN3CCC(C)CC3)sc2n1.
What is the InChIKey of 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FKOZRICBYZPIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-3-5-16(6-4-9)8-11-15-17-12(18)7-10(2)14-13(17)19-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-methylpiperidin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 9444155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).