7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

C9H9N3O3S — CID 121199638

IUPAC7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCCCn1cnc2c(C(=O)O)snc2c1=O
InChIInChI=1S/C9H9N3O3S/c1-2-3-12-4-10-5-6(8(12)13)11-16-7(5)9(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyVDGSUJJXURTFPI-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.96
Rot. Bonds3

About 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 121199638) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID121199638
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCCCn1cnc2c(C(=O)O)snc2c1=O
InChIInChI=1S/C9H9N3O3S/c1-2-3-12-4-10-5-6(8(12)13)11-16-7(5)9(14)15/h4H,2-3H2,1H3,(H,14,15)
InChIKeyVDGSUJJXURTFPI-UHFFFAOYSA-N
XLogP0.96
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 121199638) is 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is CCCn1cnc2c(C(=O)O)snc2c1=O.
What is the InChIKey of 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is VDGSUJJXURTFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-2-3-12-4-10-5-6(8(12)13)11-16-7(5)9(14)15/h4H,2-3H2,1H3,(H,14,15).
What are the key properties of 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 239.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 121199638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).