[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

C6H3N3O2S — CID 75355591

IUPAC[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1snc2cncnc12
InChIInChI=1S/C6H3N3O2S/c10-6(11)5-4-3(9-12-5)1-7-2-8-4/h1-2H,(H,10,11)
InChIKeyGYLLYTIAYZDAHN-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.78
Rot. Bonds1

About [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 75355591) has the molecular formula C6H3N3O2S and a molecular weight of 181.18 g/mol. Its IUPAC name is [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID75355591
Molecular FormulaC6H3N3O2S
Molecular Weight181.18 g/mol
Exact Mass180.99
IUPAC Name[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1snc2cncnc12
InChIInChI=1S/C6H3N3O2S/c10-6(11)5-4-3(9-12-5)1-7-2-8-4/h1-2H,(H,10,11)
InChIKeyGYLLYTIAYZDAHN-UHFFFAOYSA-N
XLogP0.78
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 75355591) is [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is O=C(O)c1snc2cncnc12.
What is the InChIKey of [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is GYLLYTIAYZDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O2S/c10-6(11)5-4-3(9-12-5)1-7-2-8-4/h1-2H,(H,10,11).
What are the key properties of [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 181.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 75355591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).