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

C8H8N2O3S — CID 126650140

IUPAC2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC1Cn2c(ncc(C(=O)O)c2=O)S1
InChIInChI=1S/C8H8N2O3S/c1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2,4H,3H2,1H3,(H,12,13)
InChIKeyNCZFMPMSKQYUCY-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.44
Rot. Bonds1

About 2-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 (PubChem CID 126650140) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-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
PubChem CID126650140
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC1Cn2c(ncc(C(=O)O)c2=O)S1
InChIInChI=1S/C8H8N2O3S/c1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2,4H,3H2,1H3,(H,12,13)
InChIKeyNCZFMPMSKQYUCY-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.44
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 5-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-a)pyrimidine-6-carboxylate
CID 641871
3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 6484551
(6-Methyl-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid
CID 44116704
Dihydro-5h-thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 68451050
methyl 5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 641879
6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid
CID 83670342
3-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 126649732
Ethyl 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126650144

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?
The IUPAC name of 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 126650140) is 2-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?
The canonical SMILES for 2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is 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?
The InChIKey is NCZFMPMSKQYUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-4-3-10-6(11)5(7(12)13)2-9-8(10)14-4/h2,4H,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?
2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 212.23 g/mol, XLogP of 0.44, 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-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 126650140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).