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

C16H14N2O4S — CID 7485680

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C16H14N2O4S/c1-10-9-23-16-17-11(7-14(19)18(10)16)8-22-15(20)12-5-3-4-6-13(12)21-2/h3-7,9H,8H2,1-2H3
InChIKeyHMVAVEVINBNXTQ-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.43
Rot. Bonds4

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate (PubChem CID 7485680) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
PubChem CID7485680
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C16H14N2O4S/c1-10-9-23-16-17-11(7-14(19)18(10)16)8-22-15(20)12-5-3-4-6-13(12)21-2/h3-7,9H,8H2,1-2H3
InChIKeyHMVAVEVINBNXTQ-UHFFFAOYSA-N
XLogP2.43
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 2495626
1-(2-{2-[(4-Hydroxy-6-methyl-2-pyrimidinyl)thio]ethoxy}phenyl)-1-propanone
CID 135414630
(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
[5-Oxo-2-(propan-2-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL]methyl 2-methoxybenzoate
CID 16026892
(2-Ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxy-4-methylsulfanylbenzoate
CID 7614229
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate
CID 7991843
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-methoxybenzoate
CID 16026742
{2-Cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl 2-methoxybenzoate
CID 16026743
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
CID 16026888
(Z)-ethyl 3,4-dimethyl-2-((4-oxo-4H-chromene-3-carbonyl)imino)-2,3-dihydrothiazole-5-carboxylate
CID 3608556
1-Ethyl-2-(ethylthio)-4-((4-oxo-4h-chromen-3-yl)methylene)-1h-imidazol-5(4h)-one
CID 132278042

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate (CID 7485680) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate is COc1ccccc1C(=O)OCc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
The InChIKey is HMVAVEVINBNXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-9-23-16-17-11(7-14(19)18(10)16)8-22-15(20)12-5-3-4-6-13(12)21-2/h3-7,9H,8H2,1-2H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate has a molecular weight of 330.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate is sourced from PubChem (CID 7485680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).