ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate

C10H11N3O4S — CID 12934947

IUPACethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)n(C)c(=O)n(C)c2s1
InChIInChI=1S/C10H11N3O4S/c1-4-17-9(15)6-11-5-7(14)12(2)10(16)13(3)8(5)18-6/h4H2,1-3H3
InChIKeyVQQDDKBDATWGMW-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.13
Rot. Bonds2

About ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate

ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate (PubChem CID 12934947) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
PubChem CID12934947
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Nameethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)n(C)c(=O)n(C)c2s1
InChIInChI=1S/C10H11N3O4S/c1-4-17-9(15)6-11-5-7(14)12(2)10(16)13(3)8(5)18-6/h4H2,1-3H3
InChIKeyVQQDDKBDATWGMW-UHFFFAOYSA-N
XLogP-0.13
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl (4-ethyl-2-(methylthio)-7-oxo-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate
CID 383358
tert-butyl 2-(5,7-dioxo-4H-[1,3]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropanoate
CID 117800578
tert-Butyl 2-(5,7-dioxo-4,5-dihydrothiazolo[5,4-d]pyrimidin-6(7H)-yl)acetate
CID 118998093
tert-Butyl 2-(2-bromo-5,7-dioxo-4,5-dihydrothiazolo[5,4-d]pyrimidin-6(7H)-yl)acetate
CID 118998095
tert-butyl 2-(2-methyl-5,7-dioxo-4H-[1,3]thiazolo[5,4-d]pyrimidin-6-yl)acetate
CID 123613914
6-(2-methoxyethyl)-2-methylsulfanyl-5-sulfanylidene-4H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 124153800
2,4-Dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
CID 163626605
Methyl 4,6-dimethyl-1-oxido-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidin-1-ium-2-carboxylate
CID 12934942
Ethyl 4,6-dimethyl-1-oxido-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidin-1-ium-2-carboxylate
CID 12934943
Methyl 4,6-dimethyl-5,7-dioxo-4,5,6,7-tetrahydrothiazolo[5,4-d]pyrimidine-2-carboxylate
CID 12934946
4,6-Dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 12934953
2,4,6-trimethyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione
CID 13740995

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate (CID 12934947) is ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate is CCOC(=O)c1nc2c(=O)n(C)c(=O)n(C)c2s1.
What is the InChIKey of ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The InChIKey is VQQDDKBDATWGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-4-17-9(15)6-11-5-7(14)12(2)10(16)13(3)8(5)18-6/h4H2,1-3H3.
What are the key properties of ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate has a molecular weight of 269.28 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 12934947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).