6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

C7H5N3O3S — CID 121199636

IUPAC6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCn1cnc2c(C(=O)O)snc2c1=O
InChIInChI=1S/C7H5N3O3S/c1-10-2-8-3-4(6(10)11)9-14-5(3)7(12)13/h2H,1H3,(H,12,13)
InChIKeyGZXICJVXWGAPPG-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.09
Rot. Bonds1

About 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 121199636) has the molecular formula C7H5N3O3S and a molecular weight of 211.20 g/mol. Its IUPAC name is 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID121199636
Molecular FormulaC7H5N3O3S
Molecular Weight211.20 g/mol
Exact Mass211.01
IUPAC Name6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCn1cnc2c(C(=O)O)snc2c1=O
InChIInChI=1S/C7H5N3O3S/c1-10-2-8-3-4(6(10)11)9-14-5(3)7(12)13/h2H,1H3,(H,12,13)
InChIKeyGZXICJVXWGAPPG-UHFFFAOYSA-N
XLogP0.09
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 121199636) is 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is Cn1cnc2c(C(=O)O)snc2c1=O.
What is the InChIKey of 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is GZXICJVXWGAPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3S/c1-10-2-8-3-4(6(10)11)9-14-5(3)7(12)13/h2H,1H3,(H,12,13).
What are the key properties of 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 211.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 121199636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).