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

C21H16FN5OS2 — CID 16916908

IUPACN-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccc(F)cc2)nn1
InChIInChI=1S/C21H16FN5OS2/c1-13-20(30-21(24-13)14-3-2-10-23-11-14)17-8-9-19(27-26-17)29-12-18(28)25-16-6-4-15(22)5-7-16/h2-11H,12H2,1H3,(H,25,28)
InChIKeyNFYUDSRMWGFGTD-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.84
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 16916908) has the molecular formula C21H16FN5OS2 and a molecular weight of 437.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID16916908
Molecular FormulaC21H16FN5OS2
Molecular Weight437.53 g/mol
Exact Mass437.08
IUPAC NameN-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccc(F)cc2)nn1
InChIInChI=1S/C21H16FN5OS2/c1-13-20(30-21(24-13)14-3-2-10-23-11-14)17-8-9-19(27-26-17)29-12-18(28)25-16-6-4-15(22)5-7-16/h2-11H,12H2,1H3,(H,25,28)
InChIKeyNFYUDSRMWGFGTD-UHFFFAOYSA-N
XLogP4.84
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916887
N-(4-fluorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562631
2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16916934
N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562791
N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562801
N-(3-chloro-4-methylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562785
N-(2-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 27460923
N-[(2-chlorophenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916971
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
2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 43957462
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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 16916908) is N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccc(F)cc2)nn1.
What is the InChIKey of N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is NFYUDSRMWGFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS2/c1-13-20(30-21(24-13)14-3-2-10-23-11-14)17-8-9-19(27-26-17)29-12-18(28)25-16-6-4-15(22)5-7-16/h2-11H,12H2,1H3,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 437.53 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16916908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).