7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H10N6OS2 — CID 8916553

IUPAC7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2nnc3c(n2)[nH]c2ccccc23)nc2sccn12
InChIInChI=1S/C16H10N6OS2/c23-12-7-9(17-16-22(12)5-6-24-16)8-25-15-19-14-13(20-21-15)10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,18,19,21)
InChIKeyWXHGTERIEWBILQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.87
Rot. Bonds3

About 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 8916553) has the molecular formula C16H10N6OS2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID8916553
Molecular FormulaC16H10N6OS2
Molecular Weight366.43 g/mol
Exact Mass366.04
IUPAC Name7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2nnc3c(n2)[nH]c2ccccc23)nc2sccn12
InChIInChI=1S/C16H10N6OS2/c23-12-7-9(17-16-22(12)5-6-24-16)8-25-15-19-14-13(20-21-15)10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,18,19,21)
InChIKeyWXHGTERIEWBILQ-UHFFFAOYSA-N
XLogP2.87
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 8916553) is 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSc2nnc3c(n2)[nH]c2ccccc23)nc2sccn12.
What is the InChIKey of 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WXHGTERIEWBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6OS2/c23-12-7-9(17-16-22(12)5-6-24-16)8-25-15-19-14-13(20-21-15)10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,18,19,21).
What are the key properties of 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 366.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 8916553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).