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

C14H12N2OS2 — CID 2646800

IUPAC7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSCc2ccccc2)nc2sccn12
InChIInChI=1S/C14H12N2OS2/c17-13-8-12(15-14-16(13)6-7-19-14)10-18-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyOZDWUJYXSBROKB-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.19
Rot. Bonds4

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

7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2646800) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2646800
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSCc2ccccc2)nc2sccn12
InChIInChI=1S/C14H12N2OS2/c17-13-8-12(15-14-16(13)6-7-19-14)10-18-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyOZDWUJYXSBROKB-UHFFFAOYSA-N
XLogP3.19
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2646800) is 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSCc2ccccc2)nc2sccn12.
What is the InChIKey of 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OZDWUJYXSBROKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c17-13-8-12(15-14-16(13)6-7-19-14)10-18-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 288.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2646800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).