2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C18H13F3N4OS — CID 7502916

IUPAC2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N4OS/c19-18(20,21)13-5-1-2-6-15(13)23-16(26)11-27-17-8-7-14(24-25-17)12-4-3-9-22-10-12/h1-10H,11H2,(H,23,26)
InChIKeyGHLWIHSCSXCZDH-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.29
Rot. Bonds5

About 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 7502916) has the molecular formula C18H13F3N4OS and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID7502916
Molecular FormulaC18H13F3N4OS
Molecular Weight390.39 g/mol
Exact Mass390.08
IUPAC Name2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N4OS/c19-18(20,21)13-5-1-2-6-15(13)23-16(26)11-27-17-8-7-14(24-25-17)12-4-3-9-22-10-12/h1-10H,11H2,(H,23,26)
InChIKeyGHLWIHSCSXCZDH-UHFFFAOYSA-N
XLogP4.29
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 7502916) is 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GHLWIHSCSXCZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4OS/c19-18(20,21)13-5-1-2-6-15(13)23-16(26)11-27-17-8-7-14(24-25-17)12-4-3-9-22-10-12/h1-10H,11H2,(H,23,26).
What are the key properties of 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 390.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7502916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).