2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid

C8H5ClN2O3S — CID 83899861

IUPAC2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1sc2nc(=O)ccn2c1Cl
InChIInChI=1S/C8H5ClN2O3S/c9-7-4(3-6(13)14)15-8-10-5(12)1-2-11(7)8/h1-2H,3H2,(H,13,14)
InChIKeyPYWGDKZWTITXCY-UHFFFAOYSA-N
MW244.66 g/mol
LogP1.04
Rot. Bonds2

About 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid

2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid (PubChem CID 83899861) has the molecular formula C8H5ClN2O3S and a molecular weight of 244.66 g/mol. Its IUPAC name is 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid
PubChem CID83899861
Molecular FormulaC8H5ClN2O3S
Molecular Weight244.66 g/mol
Exact Mass243.97
IUPAC Name2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1sc2nc(=O)ccn2c1Cl
InChIInChI=1S/C8H5ClN2O3S/c9-7-4(3-6(13)14)15-8-10-5(12)1-2-11(7)8/h1-2H,3H2,(H,13,14)
InChIKeyPYWGDKZWTITXCY-UHFFFAOYSA-N
XLogP1.04
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid (CID 83899861) is 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid is O=C(O)Cc1sc2nc(=O)ccn2c1Cl.
What is the InChIKey of 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid?
The InChIKey is PYWGDKZWTITXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O3S/c9-7-4(3-6(13)14)15-8-10-5(12)1-2-11(7)8/h1-2H,3H2,(H,13,14).
What are the key properties of 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid?
2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid has a molecular weight of 244.66 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 83899861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).