(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate

C12H14N2O3S — CID 20946471

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate
SMILESCCCCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C12H14N2O3S/c1-2-3-4-11(16)17-8-9-7-10(15)14-5-6-18-12(14)13-9/h5-7H,2-4,8H2,1H3
InChIKeyJVXJLCBGXOQGDT-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.99
Rot. Bonds5

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate (PubChem CID 20946471) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate
PubChem CID20946471
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate
SMILESCCCCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C12H14N2O3S/c1-2-3-4-11(16)17-8-9-7-10(15)14-5-6-18-12(14)13-9/h5-7H,2-4,8H2,1H3
InChIKeyJVXJLCBGXOQGDT-UHFFFAOYSA-N
XLogP1.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate (CID 20946471) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate is CCCCC(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate?
The InChIKey is JVXJLCBGXOQGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-3-4-11(16)17-8-9-7-10(15)14-5-6-18-12(14)13-9/h5-7H,2-4,8H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate has a molecular weight of 266.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate is sourced from PubChem (CID 20946471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).