4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

About 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one (PubChem CID 88537474) has the molecular formula C20H18N8OS and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name	4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
PubChem CID	88537474
Molecular Formula	C20H18N8OS
Molecular Weight	418.49 g/mol
Exact Mass	418.13
IUPAC Name	4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
SMILES	CC1=NNC(=O)N(/N=C/c2cccnc2)C1.c1ccc2[nH]c(-c3cscn3)nc2c1
InChI	InChI=1S/C10H11N5O.C10H7N3S/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h2-6H,7H2,1H3,(H,14,16);1-6H,(H,12,13)/b12-6+;
InChIKey	KGDDCWJURLVCLL-WXIWBVQFSA-N
XLogP	3.50
TPSA	111.52 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?

The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one (CID 88537474) is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one.

What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?

The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one is CC1=NNC(=O)N(/N=C/c2cccnc2)C1.c1ccc2[nH]c(-c3cscn3)nc2c1.

What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?

The InChIKey is KGDDCWJURLVCLL-WXIWBVQFSA-N. The full InChI is InChI=1S/C10H11N5O.C10H7N3S/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h2-6H,7H2,1H3,(H,14,16);1-6H,(H,12,13)/b12-6+;.

What are the key properties of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?

4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one has a molecular weight of 418.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 88537474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).