2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C20H14N6OS2 — CID 30603452

IUPAC2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc2c3ccccc3c(-c3ccccc3)nn12)Nc1nccs1
InChIInChI=1S/C20H14N6OS2/c27-16(22-19-21-10-11-28-19)12-29-20-24-23-18-15-9-5-4-8-14(15)17(25-26(18)20)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,22,27)
InChIKeyFSKWSHLWCSKRIS-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.13
Rot. Bonds5

About 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 30603452) has the molecular formula C20H14N6OS2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID30603452
Molecular FormulaC20H14N6OS2
Molecular Weight418.51 g/mol
Exact Mass418.07
IUPAC Name2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc2c3ccccc3c(-c3ccccc3)nn12)Nc1nccs1
InChIInChI=1S/C20H14N6OS2/c27-16(22-19-21-10-11-28-19)12-29-20-24-23-18-15-9-5-4-8-14(15)17(25-26(18)20)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,22,27)
InChIKeyFSKWSHLWCSKRIS-UHFFFAOYSA-N
XLogP4.13
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]acetamide
CID 18576915
methyl 4-[[2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 30603325
2-[4-oxo-3-[2-[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]ethyl]quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 46370345
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1136268
N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7217655
2-[[5-[hydroxy(phenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2923228
2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 124530772
2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 20865151
2-(1-benzylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 847800
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 8762685
2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 17386462

Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 30603452) is 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc2c3ccccc3c(-c3ccccc3)nn12)Nc1nccs1.
What is the InChIKey of 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FSKWSHLWCSKRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6OS2/c27-16(22-19-21-10-11-28-19)12-29-20-24-23-18-15-9-5-4-8-14(15)17(25-26(18)20)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,22,27).
What are the key properties of 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 418.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 30603452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).