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

C14H10N2O4S — CID 2653716

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1O
InChIInChI=1S/C14H10N2O4S/c17-11-4-2-1-3-10(11)13(19)20-8-9-7-12(18)16-5-6-21-14(16)15-9/h1-7,17H,8H2
InChIKeyYEFUDHBVOKTWQF-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.82
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate (PubChem CID 2653716) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate
PubChem CID2653716
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1O
InChIInChI=1S/C14H10N2O4S/c17-11-4-2-1-3-10(11)13(19)20-8-9-7-12(18)16-5-6-21-14(16)15-9/h1-7,17H,8H2
InChIKeyYEFUDHBVOKTWQF-UHFFFAOYSA-N
XLogP1.82
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate
CID 2647201
(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
CID 7485680
{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 2-methoxybenzoate
CID 2653720
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl benzoate
CID 2653788
7-[(4-Fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2471852
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate
CID 2691682
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 7439918
7-[(2-Acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112774557
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 4-methoxybenzoate
CID 2653775
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 3-methoxybenzoate
CID 2653817
{2-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-methoxybenzoate
CID 46339748
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methylphenyl)methoxy]benzoate
CID 2500402

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate (CID 2653716) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1O.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate?
The InChIKey is YEFUDHBVOKTWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-11-4-2-1-3-10(11)13(19)20-8-9-7-12(18)16-5-6-21-14(16)15-9/h1-7,17H,8H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate has a molecular weight of 302.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-hydroxybenzoate is sourced from PubChem (CID 2653716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).