5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole

C15H11N5OS2 — CID 71578930

IUPAC5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
SMILESCOc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
InChIInChI=1S/C15H11N5OS2/c1-21-10-3-2-4-11(7-10)23-14-6-5-13-17-18-15(20(13)19-14)12-8-16-9-22-12/h2-9H,1H3
InChIKeyWRMFMBMKRDSPRL-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.41
Rot. Bonds4

About 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole

5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole (PubChem CID 71578930) has the molecular formula C15H11N5OS2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
PubChem CID71578930
Molecular FormulaC15H11N5OS2
Molecular Weight341.42 g/mol
Exact Mass341.04
IUPAC Name5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
SMILESCOc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
InChIInChI=1S/C15H11N5OS2/c1-21-10-3-2-4-11(7-10)23-14-6-5-13-17-18-15(20(13)19-14)12-8-16-9-22-12/h2-9H,1H3
InChIKeyWRMFMBMKRDSPRL-UHFFFAOYSA-N
XLogP3.41
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole (CID 71578930) is 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole is COc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1.
What is the InChIKey of 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
The InChIKey is WRMFMBMKRDSPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS2/c1-21-10-3-2-4-11(7-10)23-14-6-5-13-17-18-15(20(13)19-14)12-8-16-9-22-12/h2-9H,1H3.
What are the key properties of 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole?
5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole has a molecular weight of 341.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 71578930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).