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

C13H17N3O2S — CID 23792886

IUPAC6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1
InChIInChI=1S/C13H17N3O2S/c1-9-3-2-4-15(8-9)11(17)10-7-14-13-16(12(10)18)5-6-19-13/h7,9H,2-6,8H2,1H3
InChIKeyIIVVWZRBHQDGEQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.22
Rot. Bonds1

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

6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 23792886) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID23792886
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1
InChIInChI=1S/C13H17N3O2S/c1-9-3-2-4-15(8-9)11(17)10-7-14-13-16(12(10)18)5-6-19-13/h7,9H,2-6,8H2,1H3
InChIKeyIIVVWZRBHQDGEQ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperidine, 1-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379280
N-cyclohexyl-N-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5165321
6-(4-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591999
6-(2-methylpiperidine-1-carbonyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 4397080
5-oxo-N,N-di(propan-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598504
3-Methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5183768
6-[3-(Trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24652491
6-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 30605958
6-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 30605960
6-(2-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591997
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4096358
6-(3,5-Dimethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4293960

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 23792886) is 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CCCN(C(=O)c2cnc3n(c2=O)CCS3)C1.
What is the InChIKey of 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IIVVWZRBHQDGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-3-2-4-15(8-9)11(17)10-7-14-13-16(12(10)18)5-6-19-13/h7,9H,2-6,8H2,1H3.
What are the key properties of 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3-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 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 23792886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).