4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

C11H8N4O3S — CID 68605959

IUPAC4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1cc(-c2nc(N)c3cc(C(=O)O)sc3n2)no1
InChIInChI=1S/C11H8N4O3S/c1-4-2-6(15-18-4)9-13-8(12)5-3-7(11(16)17)19-10(5)14-9/h2-3H,1H3,(H,16,17)(H2,12,13,14)
InChIKeyQKFDLFYVEALKJT-UHFFFAOYSA-N
MW276.28 g/mol
LogP1.94
Rot. Bonds2

About 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 68605959) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID68605959
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC Name4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1cc(-c2nc(N)c3cc(C(=O)O)sc3n2)no1
InChIInChI=1S/C11H8N4O3S/c1-4-2-6(15-18-4)9-13-8(12)5-3-7(11(16)17)19-10(5)14-9/h2-3H,1H3,(H,16,17)(H2,12,13,14)
InChIKeyQKFDLFYVEALKJT-UHFFFAOYSA-N
XLogP1.94
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 68605959) is 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1cc(-c2nc(N)c3cc(C(=O)O)sc3n2)no1.
What is the InChIKey of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is QKFDLFYVEALKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S/c1-4-2-6(15-18-4)9-13-8(12)5-3-7(11(16)17)19-10(5)14-9/h2-3H,1H3,(H,16,17)(H2,12,13,14).
What are the key properties of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 276.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 68605959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).