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

C13H10N2OS2 — CID 2653752

IUPAC7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2ccccc2)nc2sccn12
InChIInChI=1S/C13H10N2OS2/c16-12-8-10(14-13-15(12)6-7-17-13)9-18-11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyGCNOKJZIAGIWBF-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.05
Rot. Bonds3

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

7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2653752) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2653752
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2ccccc2)nc2sccn12
InChIInChI=1S/C13H10N2OS2/c16-12-8-10(14-13-15(12)6-7-17-13)9-18-11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyGCNOKJZIAGIWBF-UHFFFAOYSA-N
XLogP3.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2653752) is 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSc2ccccc2)nc2sccn12.
What is the InChIKey of 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GCNOKJZIAGIWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-12-8-10(14-13-15(12)6-7-17-13)9-18-11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 274.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(phenylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2653752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).