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

C24H21FN4OS2 — CID 18562717

IUPACN-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)nn2)c1
InChIInChI=1S/C24H21FN4OS2/c1-14-4-5-15(2)20(12-14)27-21(30)13-31-22-11-10-19(28-29-22)23-16(3)26-24(32-23)17-6-8-18(25)9-7-17/h4-12H,13H2,1-3H3,(H,27,30)
InChIKeyONHYODNCXZCFOL-UHFFFAOYSA-N
MW464.59 g/mol
LogP6.06
Rot. Bonds6

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

N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 18562717) has the molecular formula C24H21FN4OS2 and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID18562717
Molecular FormulaC24H21FN4OS2
Molecular Weight464.59 g/mol
Exact Mass464.11
IUPAC NameN-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)nn2)c1
InChIInChI=1S/C24H21FN4OS2/c1-14-4-5-15(2)20(12-14)27-21(30)13-31-22-11-10-19(28-29-22)23-16(3)26-24(32-23)17-6-8-18(25)9-7-17/h4-12H,13H2,1-3H3,(H,27,30)
InChIKeyONHYODNCXZCFOL-UHFFFAOYSA-N
XLogP6.06
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 27460923
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-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562791
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
5-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 27368804
N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916712
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908
N-(4-fluorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562631
5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 8543475
2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16840642

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (CID 18562717) is N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is Cc1ccc(C)c(NC(=O)CSc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)nn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is ONHYODNCXZCFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS2/c1-14-4-5-15(2)20(12-14)27-21(30)13-31-22-11-10-19(28-29-22)23-16(3)26-24(32-23)17-6-8-18(25)9-7-17/h4-12H,13H2,1-3H3,(H,27,30).
What are the key properties of N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 464.59 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 18562717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).