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

C13H17N3O2S — CID 6937789

IUPAC6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC[C@H]1CCCCN1C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H17N3O2S/c1-9-4-2-3-5-15(9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h8-9H,2-7H2,1H3/t9-/m0/s1
InChIKeyPALMMXZBNLLXGS-VIFPVBQESA-N
MW279.36 g/mol
LogP1.36
Rot. Bonds1

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

6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 6937789) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID6937789
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC[C@H]1CCCCN1C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H17N3O2S/c1-9-4-2-3-5-15(9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h8-9H,2-7H2,1H3/t9-/m0/s1
InChIKeyPALMMXZBNLLXGS-VIFPVBQESA-N
XLogP1.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 6937789) is 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C[C@H]1CCCCN1C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PALMMXZBNLLXGS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-4-2-3-5-15(9)11(17)10-8-14-13-16(12(10)18)6-7-19-13/h8-9H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.36 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 6937789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).