N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide

C22H15Cl2FN4OS2 — CID 18562791

IUPACN-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C22H15Cl2FN4OS2/c1-12-21(32-22(26-12)13-2-4-14(25)5-3-13)18-8-9-20(29-28-18)31-11-19(30)27-15-6-7-16(23)17(24)10-15/h2-10H,11H2,1H3,(H,27,30)
InChIKeyWOQWQEULWKRDDL-UHFFFAOYSA-N
MW505.43 g/mol
LogP6.75
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide

N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 18562791) has the molecular formula C22H15Cl2FN4OS2 and a molecular weight of 505.43 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID18562791
Molecular FormulaC22H15Cl2FN4OS2
Molecular Weight505.43 g/mol
Exact Mass504.00
IUPAC NameN-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C22H15Cl2FN4OS2/c1-12-21(32-22(26-12)13-2-4-14(25)5-3-13)18-8-9-20(29-28-18)31-11-19(30)27-15-6-7-16(23)17(24)10-15/h2-10H,11H2,1H3,(H,27,30)
InChIKeyWOQWQEULWKRDDL-UHFFFAOYSA-N
XLogP6.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.43
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562785
N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562801
2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18562749
N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562717
N-(2-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 27460923
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908
N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916774
N-(4-fluorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562631
2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 18562750
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957505
N-(3-acetylphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916753
N-(3,4-dimethoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916803

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (CID 18562791) is N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is WOQWQEULWKRDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4OS2/c1-12-21(32-22(26-12)13-2-4-14(25)5-3-13)18-8-9-20(29-28-18)31-11-19(30)27-15-6-7-16(23)17(24)10-15/h2-10H,11H2,1H3,(H,27,30).
What are the key properties of N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 505.43 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 18562791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).