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

C14H19N3O3S — CID 62357629

IUPAC6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCCC(CCO)C1
InChIInChI=1S/C14H19N3O3S/c18-6-3-10-2-1-4-16(9-10)12(19)11-8-15-14-17(13(11)20)5-7-21-14/h8,10,18H,1-7,9H2
InChIKeyJODQHWDBCRRWBK-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.58
Rot. Bonds3

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

6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 62357629) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID62357629
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCCC(CCO)C1
InChIInChI=1S/C14H19N3O3S/c18-6-3-10-2-1-4-16(9-10)12(19)11-8-15-14-17(13(11)20)5-7-21-14/h8,10,18H,1-7,9H2
InChIKeyJODQHWDBCRRWBK-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 62357629) is 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCCC(CCO)C1.
What is the InChIKey of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JODQHWDBCRRWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-6-3-10-2-1-4-16(9-10)12(19)11-8-15-14-17(13(11)20)5-7-21-14/h8,10,18H,1-7,9H2.
What are the key properties of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 309.39 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 62357629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).