methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

C9H8N2O3S — CID 3335216

IUPACmethyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2scc(C)n12
InChIInChI=1S/C9H8N2O3S/c1-5-4-15-9-10-7(12)3-6(11(5)9)8(13)14-2/h3-4H,1-2H3
InChIKeyNOELKNGUNBYEGF-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.85
Rot. Bonds1

About methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 3335216) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID3335216
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Namemethyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2scc(C)n12
InChIInChI=1S/C9H8N2O3S/c1-5-4-15-9-10-7(12)3-6(11(5)9)8(13)14-2/h3-4H,1-2H3
InChIKeyNOELKNGUNBYEGF-UHFFFAOYSA-N
XLogP0.85
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 7-oxo-7H-(1,3)thiazolo(3,2-A)pyrimidine-5-carboxylate
CID 648108
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9505308
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl acetate
CID 20946478
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl propanoate
CID 20946480
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-methylpropanoate
CID 20946481
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2,2-dimethylpropanoate
CID 20946484
ethyl 7-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 13737997
ethyl 7-(chloromethyl)-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
CID 17608082
2-methyl-7H-thiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylic acid ethyl ester
CID 53656289
7H-thiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylic acid ethyl ester
CID 54410851
Ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 54519316
7H-thiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylic acid n-butyl ester
CID 57076477

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (CID 3335216) is methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is COC(=O)c1cc(=O)nc2scc(C)n12.
What is the InChIKey of methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is NOELKNGUNBYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-5-4-15-9-10-7(12)3-6(11(5)9)8(13)14-2/h3-4H,1-2H3.
What are the key properties of methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 224.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 3335216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).