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

C8H6N2O3S — CID 6484551

IUPAC3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCc1csc2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)
InChIKeySLUJXUKOGZUFLT-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.76
Rot. Bonds1

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

3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 6484551) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID6484551
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCc1csc2ncc(C(=O)O)c(=O)n12
InChIInChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)
InChIKeySLUJXUKOGZUFLT-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-methyl-5-oxo-5H-(1,3)thiazolo(3,2-a)pyrimidine-6-carboxylic acid
CID 918861
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
Ethyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 351016
Ethynyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 20578688
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
3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7217047
3-Ethyl-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253372
5-Oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253373
3-Butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253374

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 6484551) is 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is Cc1csc2ncc(C(=O)O)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is SLUJXUKOGZUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13).
What are the key properties of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
3-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 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 6484551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).