2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid

C8H8N2O3S — CID 30545038

IUPAC2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CSc2nccc(=O)n21
InChIInChI=1S/C8H8N2O3S/c11-6-1-2-9-8-10(6)5(4-14-8)3-7(12)13/h1-2,5H,3-4H2,(H,12,13)/t5-/m0/s1
InChIKeyREVCKMPBXLGEJJ-YFKPBYRVSA-N
MW212.23 g/mol
LogP0.36
Rot. Bonds2

About 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid

2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid (PubChem CID 30545038) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
PubChem CID30545038
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1CSc2nccc(=O)n21
InChIInChI=1S/C8H8N2O3S/c11-6-1-2-9-8-10(6)5(4-14-8)3-7(12)13/h1-2,5H,3-4H2,(H,12,13)/t5-/m0/s1
InChIKeyREVCKMPBXLGEJJ-YFKPBYRVSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid (CID 30545038) is 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid is O=C(O)C[C@H]1CSc2nccc(=O)n21.
What is the InChIKey of 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The InChIKey is REVCKMPBXLGEJJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-6-1-2-9-8-10(6)5(4-14-8)3-7(12)13/h1-2,5H,3-4H2,(H,12,13)/t5-/m0/s1.
What are the key properties of 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid has a molecular weight of 212.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid is sourced from PubChem (CID 30545038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).