6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

C12H9N5S2 — CID 3000037

IUPAC6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccn2c(SCc3cn4ccsc4n3)nnc2c1
InChIInChI=1S/C12H9N5S2/c1-2-4-17-10(3-1)14-15-12(17)19-8-9-7-16-5-6-18-11(16)13-9/h1-7H,8H2
InChIKeyVHHPPVPJPIMULA-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.73
Rot. Bonds3

About 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 3000037) has the molecular formula C12H9N5S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID3000037
Molecular FormulaC12H9N5S2
Molecular Weight287.37 g/mol
Exact Mass287.03
IUPAC Name6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccn2c(SCc3cn4ccsc4n3)nnc2c1
InChIInChI=1S/C12H9N5S2/c1-2-4-17-10(3-1)14-15-12(17)19-8-9-7-16-5-6-18-11(16)13-9/h1-7H,8H2
InChIKeyVHHPPVPJPIMULA-UHFFFAOYSA-N
XLogP2.73
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (CID 3000037) is 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is c1ccn2c(SCc3cn4ccsc4n3)nnc2c1.
What is the InChIKey of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is VHHPPVPJPIMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S2/c1-2-4-17-10(3-1)14-15-12(17)19-8-9-7-16-5-6-18-11(16)13-9/h1-7H,8H2.
What are the key properties of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 287.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3000037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).