N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide

C20H14F2N4OS — CID 7152126

IUPACN-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
SMILESO=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H14F2N4OS/c21-14-6-7-16(15(22)10-14)24-19(27)12-28-20-9-8-18-23-17(11-26(18)25-20)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,27)
InChIKeyGJRFMOXJSFQCMI-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.41
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide (PubChem CID 7152126) has the molecular formula C20H14F2N4OS and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
PubChem CID7152126
Molecular FormulaC20H14F2N4OS
Molecular Weight396.42 g/mol
Exact Mass396.09
IUPAC NameN-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
SMILESO=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H14F2N4OS/c21-14-6-7-16(15(22)10-14)24-19(27)12-28-20-9-8-18-23-17(11-26(18)25-20)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,27)
InChIKeyGJRFMOXJSFQCMI-UHFFFAOYSA-N
XLogP4.41
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581668
N-(2,4-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667330
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide
CID 18573837
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434
N-(4-bromo-2-fluorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 4318099
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
N-(3,4-dichlorophenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581665
N-(2,5-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7556313
N-(2,4-difluorophenyl)-2-[[4-methyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19727384
N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900460
N-(2,4-difluorophenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
CID 53178247

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide (CID 7152126) is N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide is O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide?
The InChIKey is GJRFMOXJSFQCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OS/c21-14-6-7-16(15(22)10-14)24-19(27)12-28-20-9-8-18-23-17(11-26(18)25-20)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,27).
What are the key properties of N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide has a molecular weight of 396.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2-phenylimidazo[1,2-b]pyridazin-6-yl)sulfanylacetamide is sourced from PubChem (CID 7152126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).