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

C13H15N3O3S — CID 43422103

IUPAC6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCC(CO)C1
InChIInChI=1S/C13H15N3O3S/c17-8-9-2-1-3-15(7-9)11(18)10-6-14-13-16(12(10)19)4-5-20-13/h4-6,9,17H,1-3,7-8H2
InChIKeyTXCMXFMCSCNJPM-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.60
Rot. Bonds2

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

6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 43422103) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID43422103
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCC(CO)C1
InChIInChI=1S/C13H15N3O3S/c17-8-9-2-1-3-15(7-9)11(18)10-6-14-13-16(12(10)19)4-5-20-13/h4-6,9,17H,1-3,7-8H2
InChIKeyTXCMXFMCSCNJPM-UHFFFAOYSA-N
XLogP0.60
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-Dimethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4293960
6-(3-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591998
1-(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 43355802
6-(3-Hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43415831
6-(4-Hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43416047
6-[2-(Hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43421083
6-[3-(Hydroxymethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43422226
6-[4-(Hydroxymethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60956661
6-[4-(Hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60956756
6-[3-(2-Hydroxyethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62357615
6-[3-(2-Hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62357629
6-[3-(Hydroxymethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62372713

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 43422103) is 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCCC(CO)C1.
What is the InChIKey of 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is TXCMXFMCSCNJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-8-9-2-1-3-15(7-9)11(18)10-6-14-13-16(12(10)19)4-5-20-13/h4-6,9,17H,1-3,7-8H2.
What are the key properties of 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 293.35 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 43422103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).