6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid

C12H14N2O4S — CID 90965159

IUPAC6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid
SMILESCCC(C)n1c(=O)c(C)c2sc(C(=O)O)cn2c1=O
InChIInChI=1S/C12H14N2O4S/c1-4-6(2)14-9(15)7(3)10-13(12(14)18)5-8(19-10)11(16)17/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyYISVSTPFQZTZSU-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.50
Rot. Bonds3

About 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid

6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid (PubChem CID 90965159) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid
PubChem CID90965159
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid
SMILESCCC(C)n1c(=O)c(C)c2sc(C(=O)O)cn2c1=O
InChIInChI=1S/C12H14N2O4S/c1-4-6(2)14-9(15)7(3)10-13(12(14)18)5-8(19-10)11(16)17/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyYISVSTPFQZTZSU-UHFFFAOYSA-N
XLogP1.50
TPSA80.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid (CID 90965159) is 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid is CCC(C)n1c(=O)c(C)c2sc(C(=O)O)cn2c1=O.
What is the InChIKey of 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is YISVSTPFQZTZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-4-6(2)14-9(15)7(3)10-13(12(14)18)5-8(19-10)11(16)17/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid?
6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 90965159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).