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

C8H8N2O2S — CID 140991156

IUPAC2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC1=CN2CC(C(=O)O)=CN=C2S1
InChIInChI=1S/C8H8N2O2S/c1-5-3-10-4-6(7(11)12)2-9-8(10)13-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyCJAPBRNLLVOXBF-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.23
Rot. Bonds1

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

2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 140991156) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID140991156
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC1=CN2CC(C(=O)O)=CN=C2S1
InChIInChI=1S/C8H8N2O2S/c1-5-3-10-4-6(7(11)12)2-9-8(10)13-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyCJAPBRNLLVOXBF-UHFFFAOYSA-N
XLogP1.23
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 140991156) is 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CC1=CN2CC(C(=O)O)=CN=C2S1.
What is the InChIKey of 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is CJAPBRNLLVOXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-5-3-10-4-6(7(11)12)2-9-8(10)13-5/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 196.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 140991156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).