(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate

C14H10N2O5S — CID 2647201

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccc(O)cc1O
InChIInChI=1S/C14H10N2O5S/c17-9-1-2-10(11(18)6-9)13(20)21-7-8-5-12(19)16-3-4-22-14(16)15-8/h1-6,17-18H,7H2
InChIKeyUQUSYPQOHSJXOD-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.52
Rot. Bonds3

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate (PubChem CID 2647201) has the molecular formula C14H10N2O5S and a molecular weight of 318.31 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate
PubChem CID2647201
Molecular FormulaC14H10N2O5S
Molecular Weight318.31 g/mol
Exact Mass318.03
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccc(O)cc1O
InChIInChI=1S/C14H10N2O5S/c17-9-1-2-10(11(18)6-9)13(20)21-7-8-5-12(19)16-3-4-22-14(16)15-8/h1-6,17-18H,7H2
InChIKeyUQUSYPQOHSJXOD-UHFFFAOYSA-N
XLogP1.52
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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 2,4-dihydroxybenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate (CID 2647201) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(O)cc1O.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate?
The InChIKey is UQUSYPQOHSJXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5S/c17-9-1-2-10(11(18)6-9)13(20)21-7-8-5-12(19)16-3-4-22-14(16)15-8/h1-6,17-18H,7H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate has a molecular weight of 318.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate is sourced from PubChem (CID 2647201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).