7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C8H8N2O3S2 — CID 118009535

IUPAC7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCS(=O)(=O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C8H8N2O3S2/c1-15(12,13)5-6-4-7(11)10-2-3-14-8(10)9-6/h2-4H,5H2,1H3
InChIKeyHOWTZKIJFCIBMO-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.30
Rot. Bonds2

About 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118009535) has the molecular formula C8H8N2O3S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118009535
Molecular FormulaC8H8N2O3S2
Molecular Weight244.30 g/mol
Exact Mass244.00
IUPAC Name7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCS(=O)(=O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C8H8N2O3S2/c1-15(12,13)5-6-4-7(11)10-2-3-14-8(10)9-6/h2-4H,5H2,1H3
InChIKeyHOWTZKIJFCIBMO-UHFFFAOYSA-N
XLogP0.30
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118009535) is 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CS(=O)(=O)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HOWTZKIJFCIBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S2/c1-15(12,13)5-6-4-7(11)10-2-3-14-8(10)9-6/h2-4H,5H2,1H3.
What are the key properties of 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 244.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylsulfonylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118009535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).