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

C11H11N3O2S — CID 82373208

IUPAC5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1nsc2cnc(C3CCCC3)nc12
InChIInChI=1S/C11H11N3O2S/c15-11(16)9-8-7(17-14-9)5-12-10(13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,15,16)
InChIKeyLDOFSJUQSYRXOA-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.44
Rot. Bonds2

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

5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (PubChem CID 82373208) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
PubChem CID82373208
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1nsc2cnc(C3CCCC3)nc12
InChIInChI=1S/C11H11N3O2S/c15-11(16)9-8-7(17-14-9)5-12-10(13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,15,16)
InChIKeyLDOFSJUQSYRXOA-UHFFFAOYSA-N
XLogP2.44
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (CID 82373208) is 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is O=C(O)c1nsc2cnc(C3CCCC3)nc12.
What is the InChIKey of 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The InChIKey is LDOFSJUQSYRXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-11(16)9-8-7(17-14-9)5-12-10(13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,15,16).
What are the key properties of 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82373208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).