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

C13H18N4OS — CID 18147088

IUPAC2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CC(C)CC(C)C3)sc2n1
InChIInChI=1S/C13H18N4OS/c1-8-4-9(2)7-16(6-8)13-15-17-11(18)5-10(3)14-12(17)19-13/h5,8-9H,4,6-7H2,1-3H3
InChIKeyKKDWJSDQAZWRKC-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.94
Rot. Bonds1

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

2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18147088) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID18147088
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CC(C)CC(C)C3)sc2n1
InChIInChI=1S/C13H18N4OS/c1-8-4-9(2)7-16(6-8)13-15-17-11(18)5-10(3)14-12(17)19-13/h5,8-9H,4,6-7H2,1-3H3
InChIKeyKKDWJSDQAZWRKC-UHFFFAOYSA-N
XLogP1.94
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 18147088) is 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CC(C)CC(C)C3)sc2n1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KKDWJSDQAZWRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-4-9(2)7-16(6-8)13-15-17-11(18)5-10(3)14-12(17)19-13/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.38 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18147088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).