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

C10H9N3O3S — CID 121199639

IUPAC6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1snc2c(=O)n(CC3CC3)cnc12
InChIInChI=1S/C10H9N3O3S/c14-9-7-6(8(10(15)16)17-12-7)11-4-13(9)3-5-1-2-5/h4-5H,1-3H2,(H,15,16)
InChIKeyUYNASNVGPUBHKC-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.96
Rot. Bonds3

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

6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 121199639) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID121199639
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1snc2c(=O)n(CC3CC3)cnc12
InChIInChI=1S/C10H9N3O3S/c14-9-7-6(8(10(15)16)17-12-7)11-4-13(9)3-5-1-2-5/h4-5H,1-3H2,(H,15,16)
InChIKeyUYNASNVGPUBHKC-UHFFFAOYSA-N
XLogP0.96
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 121199639) is 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is O=C(O)c1snc2c(=O)n(CC3CC3)cnc12.
What is the InChIKey of 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is UYNASNVGPUBHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-9-7-6(8(10(15)16)17-12-7)11-4-13(9)3-5-1-2-5/h4-5H,1-3H2,(H,15,16).
What are the key properties of 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 251.27 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 6-(cyclopropylmethyl)-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 121199639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).