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

C14H10N2O3S — CID 2653788

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1
InChIInChI=1S/C14H10N2O3S/c17-12-8-11(15-14-16(12)6-7-20-14)9-19-13(18)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYNZXNVIFFJHDNZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.11
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate (PubChem CID 2653788) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate
PubChem CID2653788
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1
InChIInChI=1S/C14H10N2O3S/c17-12-8-11(15-14-16(12)6-7-20-14)9-19-13(18)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYNZXNVIFFJHDNZ-UHFFFAOYSA-N
XLogP2.11
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-methylbenzoate
CID 7718007
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl benzoate
CID 135494071
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate
CID 2653716
{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 2-methoxybenzoate
CID 2653720
Methyl 4-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]benzoate
CID 8894901
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 3-methylbenzoate
CID 2659529
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate
CID 4828948
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 4-fluorobenzoate
CID 7478323
{2-Ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl benzoate
CID 7614245
{2-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-fluorobenzoate
CID 16026788
{2-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl 4-fluorobenzoate
CID 16026828
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 24456283

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate (CID 2653788) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate?
The InChIKey is YNZXNVIFFJHDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-12-8-11(15-14-16(12)6-7-20-14)9-19-13(18)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate has a molecular weight of 286.31 g/mol, XLogP of 2.11, 3 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 benzoate is sourced from PubChem (CID 2653788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).