7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C10H9N3OS3 — CID 6468090

IUPAC7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSC2=NCCS2)nc2sccn12
InChIInChI=1S/C10H9N3OS3/c14-8-5-7(6-17-10-11-1-3-16-10)12-9-13(8)2-4-15-9/h2,4-5H,1,3,6H2
InChIKeyGMBDGAXYSVFMPH-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.09
Rot. Bonds2

About 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 6468090) has the molecular formula C10H9N3OS3 and a molecular weight of 283.40 g/mol. Its IUPAC name is 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID6468090
Molecular FormulaC10H9N3OS3
Molecular Weight283.40 g/mol
Exact Mass282.99
IUPAC Name7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSC2=NCCS2)nc2sccn12
InChIInChI=1S/C10H9N3OS3/c14-8-5-7(6-17-10-11-1-3-16-10)12-9-13(8)2-4-15-9/h2,4-5H,1,3,6H2
InChIKeyGMBDGAXYSVFMPH-UHFFFAOYSA-N
XLogP2.09
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 6468090) is 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSC2=NCCS2)nc2sccn12.
What is the InChIKey of 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GMBDGAXYSVFMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS3/c14-8-5-7(6-17-10-11-1-3-16-10)12-9-13(8)2-4-15-9/h2,4-5H,1,3,6H2.
What are the key properties of 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 283.40 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 6468090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).