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

C20H16N2O4S — CID 7843292

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate
SMILESCc1csc2nc(COC(=O)COc3ccc4ccccc4c3)cc(=O)n12
InChIInChI=1S/C20H16N2O4S/c1-13-12-27-20-21-16(9-18(23)22(13)20)10-26-19(24)11-25-17-7-6-14-4-2-3-5-15(14)8-17/h2-9,12H,10-11H2,1H3
InChIKeyNKJZHANKEMKVLR-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.34
Rot. Bonds5

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate (PubChem CID 7843292) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate
PubChem CID7843292
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate
SMILESCc1csc2nc(COC(=O)COc3ccc4ccccc4c3)cc(=O)n12
InChIInChI=1S/C20H16N2O4S/c1-13-12-27-20-21-16(9-18(23)22(13)20)10-26-19(24)11-25-17-7-6-14-4-2-3-5-15(14)8-17/h2-9,12H,10-11H2,1H3
InChIKeyNKJZHANKEMKVLR-UHFFFAOYSA-N
XLogP3.34
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.34
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 2-(4-methoxyphenoxy)acetate
CID 7846826
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7234792
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-phenoxypropanoate
CID 20946495
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl pentanoate
CID 20946482
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzothiophene-2-carboxylate
CID 7887441
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-chlorophenyl)acetate
CID 7750372
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-thiophen-3-ylpropanoate
CID 47007872
cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778035
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-ethylsulfonylbenzoate
CID 55385559
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3,4-dimethylbenzoate
CID 7382179
(2S)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]propanoic acid
CID 104876458
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate
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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate (CID 7843292) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate is Cc1csc2nc(COC(=O)COc3ccc4ccccc4c3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate?
The InChIKey is NKJZHANKEMKVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-13-12-27-20-21-16(9-18(23)22(13)20)10-26-19(24)11-25-17-7-6-14-4-2-3-5-15(14)8-17/h2-9,12H,10-11H2,1H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate has a molecular weight of 380.43 g/mol, XLogP of 3.34, 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-naphthalen-2-yloxyacetate is sourced from PubChem (CID 7843292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).