N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C17H14F2N4OS2 — CID 7222624

IUPACN-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(F)c(F)c3)nn2)s1
InChIInChI=1S/C17H14F2N4OS2/c1-9-17(26-10(2)20-9)14-5-6-16(23-22-14)25-8-15(24)21-11-3-4-12(18)13(19)7-11/h3-7H,8H2,1-2H3,(H,21,24)
InChIKeySONZQZOIEGBYHW-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.23
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7222624) has the molecular formula C17H14F2N4OS2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7222624
Molecular FormulaC17H14F2N4OS2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC NameN-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(F)c(F)c3)nn2)s1
InChIInChI=1S/C17H14F2N4OS2/c1-9-17(26-10(2)20-9)14-5-6-16(23-22-14)25-8-15(24)21-11-3-4-12(18)13(19)7-11/h3-7H,8H2,1-2H3,(H,21,24)
InChIKeySONZQZOIEGBYHW-UHFFFAOYSA-N
XLogP4.23
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-((2-Fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole
CID 7207507
N-phenyl-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16019240
N-(2-fluorophenyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194188
N-(2,4-difluorophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7207545
N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207561
N-(2,3-dimethylphenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7222575
2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)-N-phenylacetamide
CID 16019346
N-(4-bromophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16031990
5-(6-((3-Fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole
CID 7207506
2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)-N-(4-methylbenzyl)acetamide
CID 16019401
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(4-ethylphenyl)acetamide
CID 7207512
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-fluorophenyl)acetamide
CID 7207548

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 7222624) is N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(F)c(F)c3)nn2)s1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is SONZQZOIEGBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4OS2/c1-9-17(26-10(2)20-9)14-5-6-16(23-22-14)25-8-15(24)21-11-3-4-12(18)13(19)7-11/h3-7H,8H2,1-2H3,(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 392.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7222624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).