2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole

C15H12N6S2 — CID 45497435

IUPAC2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1nc(CSc2ccc3nnc(-c4ccccn4)n3n2)cs1
InChIInChI=1S/C15H12N6S2/c1-10-17-11(8-22-10)9-23-14-6-5-13-18-19-15(21(13)20-14)12-4-2-3-7-16-12/h2-8H,9H2,1H3
InChIKeyUEBPAKXVQTXBKI-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.24
Rot. Bonds4

About 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole

2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 45497435) has the molecular formula C15H12N6S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID45497435
Molecular FormulaC15H12N6S2
Molecular Weight340.44 g/mol
Exact Mass340.06
IUPAC Name2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1nc(CSc2ccc3nnc(-c4ccccn4)n3n2)cs1
InChIInChI=1S/C15H12N6S2/c1-10-17-11(8-22-10)9-23-14-6-5-13-18-19-15(21(13)20-14)12-4-2-3-7-16-12/h2-8H,9H2,1H3
InChIKeyUEBPAKXVQTXBKI-UHFFFAOYSA-N
XLogP3.24
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole (CID 45497435) is 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole is Cc1nc(CSc2ccc3nnc(-c4ccccn4)n3n2)cs1.
What is the InChIKey of 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is UEBPAKXVQTXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S2/c1-10-17-11(8-22-10)9-23-14-6-5-13-18-19-15(21(13)20-14)12-4-2-3-7-16-12/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole?
2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 340.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 45497435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).