2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

C16H16N4O6S2 — CID 158994811

IUPAC2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC1CSc2ncc(C(=O)O)c(=O)n21.CC1Cn2c(ncc(C(=O)O)c2=O)S1
InChIInChI=1S/2C8H8N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8;1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2*2,4H,3H2,1H3,(H,12,13)
InChIKeyJQPJMYUZNPYTSC-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.04
Rot. Bonds2

About 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 158994811) has the molecular formula C16H16N4O6S2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID158994811
Molecular FormulaC16H16N4O6S2
Molecular Weight424.46 g/mol
Exact Mass424.05
IUPAC Name2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC1CSc2ncc(C(=O)O)c(=O)n21.CC1Cn2c(ncc(C(=O)O)c2=O)S1
InChIInChI=1S/2C8H8N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8;1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2*2,4H,3H2,1H3,(H,12,13)
InChIKeyJQPJMYUZNPYTSC-UHFFFAOYSA-N
XLogP1.04
TPSA144.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 158994811) is 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CC1CSc2ncc(C(=O)O)c(=O)n21.CC1Cn2c(ncc(C(=O)O)c2=O)S1.
What is the InChIKey of 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is JQPJMYUZNPYTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8;1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2*2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 424.46 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 158994811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).