6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C10H14N2O2S — CID 135449563

IUPAC6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCc1c(O)nc2n(c1=O)CCS2
InChIInChI=1S/C10H14N2O2S/c1-2-3-4-7-8(13)11-10-12(9(7)14)5-6-15-10/h13H,2-6H2,1H3
InChIKeyHZUPJSQOYPZRNV-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.40
Rot. Bonds3

About 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135449563) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135449563
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCc1c(O)nc2n(c1=O)CCS2
InChIInChI=1S/C10H14N2O2S/c1-2-3-4-7-8(13)11-10-12(9(7)14)5-6-15-10/h13H,2-6H2,1H3
InChIKeyHZUPJSQOYPZRNV-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Azepan-1-yl-2-oxo-ethylsulfanyl)-5-butyl-6-hydroxy-3H-pyrimidin-4-one
CID 3149866
5-butyl-6-hydroxy-2-[(2-oxo-2-piperidin-1-ylethyl)thio]pyrimidin-4(3H)-one
CID 5058947
6-butyl-7-hydroxy-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135401417
N,N-diethyl-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 1073911
4-hydroxy-5-pentan-2-yl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride
CID 172465328
4-hydroxy-5-(3-methylbutyl)-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one;hydrochloride
CID 172466670
6-Hydroxy-5-[(2rs)-pentan-2-yl]-2-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3h)-one
CID 155920375
2-{[2-(Diethylamino)ethyl]sulfanyl}-5-pentylpyrimidine-4,6-diol
CID 1597685
5-butyl-2-((2-(diethylamino)ethyl)thio)-6-hydroxypyrimidin-4(3H)-one hydrochloride
CID 52998173
6-ethyl-7-hydroxy-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135420401
7-butyl-8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135481903
N,N-diethyl-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 1073944

Frequently Asked Questions

What is the IUPAC name of 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135449563) is 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCc1c(O)nc2n(c1=O)CCS2.
What is the InChIKey of 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HZUPJSQOYPZRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-3-4-7-8(13)11-10-12(9(7)14)5-6-15-10/h13H,2-6H2,1H3.
What are the key properties of 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 226.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135449563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).