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

C17H16N2O4S — CID 7841742

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H16N2O4S/c1-12-4-2-3-5-14(12)22-8-6-16(21)23-11-13-10-15(20)19-7-9-24-17(19)18-13/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyAVFXEGYWDYGSSR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.58
Rot. Bonds6

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate (PubChem CID 7841742) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate
PubChem CID7841742
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H16N2O4S/c1-12-4-2-3-5-14(12)22-8-6-16(21)23-11-13-10-15(20)19-7-9-24-17(19)18-13/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyAVFXEGYWDYGSSR-UHFFFAOYSA-N
XLogP2.58
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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 3-(2-methylphenoxy)propanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate (CID 7841742) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate?
The InChIKey is AVFXEGYWDYGSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12-4-2-3-5-14(12)22-8-6-16(21)23-11-13-10-15(20)19-7-9-24-17(19)18-13/h2-5,7,9-10H,6,8,11H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylphenoxy)propanoate has a molecular weight of 344.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 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 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 7841742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).