6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

C15H10N6S2 — CID 6411852

IUPAC6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(c1)[nH]c1nc(SCc3cn4ccsc4n3)nnc12
InChIInChI=1S/C15H10N6S2/c1-2-4-11-10(3-1)12-13(17-11)18-14(20-19-12)23-8-9-7-21-5-6-22-15(21)16-9/h1-7H,8H2,(H,17,18,20)
InChIKeyYSJFKVKNWHIYNP-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.51
Rot. Bonds3

About 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 6411852) has the molecular formula C15H10N6S2 and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID6411852
Molecular FormulaC15H10N6S2
Molecular Weight338.42 g/mol
Exact Mass338.04
IUPAC Name6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(c1)[nH]c1nc(SCc3cn4ccsc4n3)nnc12
InChIInChI=1S/C15H10N6S2/c1-2-4-11-10(3-1)12-13(17-11)18-14(20-19-12)23-8-9-7-21-5-6-22-15(21)16-9/h1-7H,8H2,(H,17,18,20)
InChIKeyYSJFKVKNWHIYNP-UHFFFAOYSA-N
XLogP3.51
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (CID 6411852) is 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is c1ccc2c(c1)[nH]c1nc(SCc3cn4ccsc4n3)nnc12.
What is the InChIKey of 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is YSJFKVKNWHIYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6S2/c1-2-4-11-10(3-1)12-13(17-11)18-14(20-19-12)23-8-9-7-21-5-6-22-15(21)16-9/h1-7H,8H2,(H,17,18,20).
What are the key properties of 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 338.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 6411852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).