3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H17N3O2S — CID 5183768

IUPAC3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCC(C)CC3)c(=O)n12
InChIInChI=1S/C14H17N3O2S/c1-9-3-5-16(6-4-9)12(18)11-7-15-14-17(13(11)19)10(2)8-20-14/h7-9H,3-6H2,1-2H3
InChIKeySISDAJJDRIXOLS-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.94
Rot. Bonds1

About 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 5183768) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID5183768
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2ncc(C(=O)N3CCC(C)CC3)c(=O)n12
InChIInChI=1S/C14H17N3O2S/c1-9-3-5-16(6-4-9)12(18)11-7-15-14-17(13(11)19)10(2)8-20-14/h7-9H,3-6H2,1-2H3
InChIKeySISDAJJDRIXOLS-UHFFFAOYSA-N
XLogP1.94
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 5183768) is 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2ncc(C(=O)N3CCC(C)CC3)c(=O)n12.
What is the InChIKey of 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SISDAJJDRIXOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-3-5-16(6-4-9)12(18)11-7-15-14-17(13(11)19)10(2)8-20-14/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 291.38 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 5183768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).