7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid

C6H4N4O2S — CID 67970063

IUPAC7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESNc1ncnc2c(C(=O)O)nsc12
InChIInChI=1S/C6H4N4O2S/c7-5-4-2(8-1-9-5)3(6(11)12)10-13-4/h1H,(H,11,12)(H2,7,8,9)
InChIKeyAPKWLLRBPQTOAS-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.37
Rot. Bonds1

About 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid

7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (PubChem CID 67970063) has the molecular formula C6H4N4O2S and a molecular weight of 196.19 g/mol. Its IUPAC name is 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
PubChem CID67970063
Molecular FormulaC6H4N4O2S
Molecular Weight196.19 g/mol
Exact Mass196.01
IUPAC Name7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESNc1ncnc2c(C(=O)O)nsc12
InChIInChI=1S/C6H4N4O2S/c7-5-4-2(8-1-9-5)3(6(11)12)10-13-4/h1H,(H,11,12)(H2,7,8,9)
InChIKeyAPKWLLRBPQTOAS-UHFFFAOYSA-N
XLogP0.37
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (CID 67970063) is 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is Nc1ncnc2c(C(=O)O)nsc12.
What is the InChIKey of 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The InChIKey is APKWLLRBPQTOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2S/c7-5-4-2(8-1-9-5)3(6(11)12)10-13-4/h1H,(H,11,12)(H2,7,8,9).
What are the key properties of 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid has a molecular weight of 196.19 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67970063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).