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

C7H6N2O2S — CID 154058571

IUPAC5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1=CN=C2SC=CN2C1
InChIInChI=1S/C7H6N2O2S/c10-6(11)5-3-8-7-9(4-5)1-2-12-7/h1-3H,4H2,(H,10,11)
InChIKeyHCWRFJOJHNPZPF-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.84
Rot. Bonds1

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

5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 154058571) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID154058571
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1=CN=C2SC=CN2C1
InChIInChI=1S/C7H6N2O2S/c10-6(11)5-3-8-7-9(4-5)1-2-12-7/h1-3H,4H2,(H,10,11)
InChIKeyHCWRFJOJHNPZPF-UHFFFAOYSA-N
XLogP0.84
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 154058571) is 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is O=C(O)C1=CN=C2SC=CN2C1.
What is the InChIKey of 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is HCWRFJOJHNPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-6(11)5-3-8-7-9(4-5)1-2-12-7/h1-3H,4H2,(H,10,11).
What are the key properties of 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 182.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 154058571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).