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

C8H6N2O3S — CID 918861

IUPAC2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCc1cn2c(=O)c(C(=O)O)cnc2s1
InChIInChI=1S/C8H6N2O3S/c1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2-3H,1H3,(H,12,13)
InChIKeyUPPPMRSHTNROCH-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.76
Rot. Bonds1

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

2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 918861) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID918861
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCc1cn2c(=O)c(C(=O)O)cnc2s1
InChIInChI=1S/C8H6N2O3S/c1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2-3H,1H3,(H,12,13)
InChIKeyUPPPMRSHTNROCH-UHFFFAOYSA-N
XLogP0.76
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 762362
2,3-Dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253376
2,3-Dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidine-6-carboxylic acid
CID 1807101
3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 6484551
Ethyl 2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7540596
2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 70093181
3-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 126649732
2-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 126650140
2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 140991156
2-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6954405
2-Ethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253375
7-(methylsulfanyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 14319826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 918861) is 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is Cc1cn2c(=O)c(C(=O)O)cnc2s1.
What is the InChIKey of 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is UPPPMRSHTNROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2-3H,1H3,(H,12,13).
What are the key properties of 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 918861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).