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

C11H12N2O3S — CID 54519316

IUPACethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)nc2sc(C)c(C)n12
InChIInChI=1S/C11H12N2O3S/c1-4-16-10(15)8-5-9(14)12-11-13(8)6(2)7(3)17-11/h5H,4H2,1-3H3
InChIKeyYOQQIZVZVMTRKZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.55
Rot. Bonds2

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

ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 54519316) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID54519316
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Nameethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)nc2sc(C)c(C)n12
InChIInChI=1S/C11H12N2O3S/c1-4-16-10(15)8-5-9(14)12-11-13(8)6(2)7(3)17-11/h5H,4H2,1-3H3
InChIKeyYOQQIZVZVMTRKZ-UHFFFAOYSA-N
XLogP1.55
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 3335216
Ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 626183
Methyl 2-methyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21852830
Methyl 2-ethyl-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 4229373
(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
ethyl 7-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 13737997
ethyl 2-(methylsulfanyl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 16765274
Ethyl 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 13466425
ethyl 7-(chloromethyl)-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
CID 17608082
Butyl 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163765
ethyl 2-[di-(n-propyl)amino]-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate
CID 21163772

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (CID 54519316) is ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(=O)nc2sc(C)c(C)n12.
What is the InChIKey of ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is YOQQIZVZVMTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-4-16-10(15)8-5-9(14)12-11-13(8)6(2)7(3)17-11/h5H,4H2,1-3H3.
What are the key properties of ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 54519316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).