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

C17H16N2O4S — CID 7705538

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2cc(=O)n3c(C)csc3n2)cc1
InChIInChI=1S/C17H16N2O4S/c1-11-10-24-17-18-13(8-15(20)19(11)17)9-23-16(21)7-12-3-5-14(22-2)6-4-12/h3-6,8,10H,7,9H2,1-2H3
InChIKeyVBORYKBAHQXAFQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.36
Rot. Bonds5

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate (PubChem CID 7705538) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate
PubChem CID7705538
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2cc(=O)n3c(C)csc3n2)cc1
InChIInChI=1S/C17H16N2O4S/c1-11-10-24-17-18-13(8-15(20)19(11)17)9-23-16(21)7-12-3-5-14(22-2)6-4-12/h3-6,8,10H,7,9H2,1-2H3
InChIKeyVBORYKBAHQXAFQ-UHFFFAOYSA-N
XLogP2.36
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate
CID 7906517
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate
CID 7991588
Methyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 2495626
7-[(4-Acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2621404
(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
CID 7485680
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-methylbenzoate
CID 7718007
{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 2-methoxybenzoate
CID 2653720
Ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CID 2873350
{2-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 4-ethoxybenzoate
CID 16026816
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate
CID 5169602
ethyl 5-[(E)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5389365
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate
CID 7991843

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate (CID 7705538) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCc2cc(=O)n3c(C)csc3n2)cc1.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate?
The InChIKey is VBORYKBAHQXAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11-10-24-17-18-13(8-15(20)19(11)17)9-23-16(21)7-12-3-5-14(22-2)6-4-12/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methoxyphenyl)acetate has a molecular weight of 344.39 g/mol, XLogP of 2.36, 5 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-(4-methoxyphenyl)acetate is sourced from PubChem (CID 7705538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).