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

C11H12N2O3S — CID 135409170

IUPAC7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H12N2O3S/c1-2-3-4-7(14)8-9(15)12-11-13(10(8)16)5-6-17-11/h5-6,15H,2-4H2,1H3
InChIKeyULQVDWHTPZCPTJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.83
Rot. Bonds4

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

7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135409170) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135409170
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H12N2O3S/c1-2-3-4-7(14)8-9(15)12-11-13(10(8)16)5-6-17-11/h5-6,15H,2-4H2,1H3
InChIKeyULQVDWHTPZCPTJ-UHFFFAOYSA-N
XLogP1.83
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853317
N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135493467
7-hydroxy-5-oxo-N-(pyridin-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853318
6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 137304098
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135938794
7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 14319826
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135938792
7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470636
7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471247
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
6-(4-butoxyphenyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91455885
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86853884

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135409170) is 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCC(=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ULQVDWHTPZCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-3-4-7(14)8-9(15)12-11-13(10(8)16)5-6-17-11/h5-6,15H,2-4H2,1H3.
What are the key properties of 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 252.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-pentanoyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135409170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).