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

C12H13N3O3S — CID 43415831

IUPAC6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCC(O)C1
InChIInChI=1S/C12H13N3O3S/c16-8-2-1-3-14(7-8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h4-6,8,16H,1-3,7H2
InChIKeyXKQZGJLSKUHGNK-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.35
Rot. Bonds1

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

6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 43415831) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID43415831
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCCC(O)C1
InChIInChI=1S/C12H13N3O3S/c16-8-2-1-3-14(7-8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h4-6,8,16H,1-3,7H2
InChIKeyXKQZGJLSKUHGNK-UHFFFAOYSA-N
XLogP0.35
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591996
6-(2,6-Dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4293963
6-(3-Hydroxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43393888
6-(4-Hydroxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43393955
6-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43415633
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]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43422103
N-(2-hydroxypropyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 55060964
N-(2-cyclopropyl-2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 55171973
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 43415831) is 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCCC(O)C1.
What is the InChIKey of 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XKQZGJLSKUHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-8-2-1-3-14(7-8)10(17)9-6-13-12-15(11(9)18)4-5-19-12/h4-6,8,16H,1-3,7H2.
What are the key properties of 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.32 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 43415831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).