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

C9H7N5OS2 — CID 7784963

IUPAC7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2ncn[nH]2)nc2sccn12
InChIInChI=1S/C9H7N5OS2/c15-7-3-6(4-17-8-10-5-11-13-8)12-9-14(7)1-2-16-9/h1-3,5H,4H2,(H,10,11,13)
InChIKeyFHMGABQGDWFXMZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.17
Rot. Bonds3

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

7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7784963) has the molecular formula C9H7N5OS2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7784963
Molecular FormulaC9H7N5OS2
Molecular Weight265.32 g/mol
Exact Mass265.01
IUPAC Name7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2ncn[nH]2)nc2sccn12
InChIInChI=1S/C9H7N5OS2/c15-7-3-6(4-17-8-10-5-11-13-8)12-9-14(7)1-2-16-9/h1-3,5H,4H2,(H,10,11,13)
InChIKeyFHMGABQGDWFXMZ-UHFFFAOYSA-N
XLogP1.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7784963) is 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSc2ncn[nH]2)nc2sccn12.
What is the InChIKey of 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FHMGABQGDWFXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5OS2/c15-7-3-6(4-17-8-10-5-11-13-8)12-9-14(7)1-2-16-9/h1-3,5H,4H2,(H,10,11,13).
What are the key properties of 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 265.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7784963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).