6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H19N3O2S — CID 4096358

IUPAC6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CC(C)CC(C)C3)c(=O)n12
InChIInChI=1S/C15H19N3O2S/c1-9-4-10(2)7-17(6-9)13(19)12-5-16-15-18(14(12)20)11(3)8-21-15/h5,8-10H,4,6-7H2,1-3H3
InChIKeyGVQALOFYKKIURN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.18
Rot. Bonds1

About 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4096358) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4096358
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CC(C)CC(C)C3)c(=O)n12
InChIInChI=1S/C15H19N3O2S/c1-9-4-10(2)7-17(6-9)13(19)12-5-16-15-18(14(12)20)11(3)8-21-15/h5,8-10H,4,6-7H2,1-3H3
InChIKeyGVQALOFYKKIURN-UHFFFAOYSA-N
XLogP2.18
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4096358) is 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2ncc(C(=O)N3CC(C)CC(C)C3)c(=O)n12.
What is the InChIKey of 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GVQALOFYKKIURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-4-10(2)7-17(6-9)13(19)12-5-16-15-18(14(12)20)11(3)8-21-15/h5,8-10H,4,6-7H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 305.40 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4096358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).