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

C19H14FN5OS3 — CID 18562750

IUPAC2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2nccs2)nn1
InChIInChI=1S/C19H14FN5OS3/c1-11-17(29-18(22-11)12-2-4-13(20)5-3-12)14-6-7-16(25-24-14)28-10-15(26)23-19-21-8-9-27-19/h2-9H,10H2,1H3,(H,21,23,26)
InChIKeyDUEXCGMCLUQPRP-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.90
Rot. Bonds6

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

2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 18562750) has the molecular formula C19H14FN5OS3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID18562750
Molecular FormulaC19H14FN5OS3
Molecular Weight443.55 g/mol
Exact Mass443.03
IUPAC Name2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2nccs2)nn1
InChIInChI=1S/C19H14FN5OS3/c1-11-17(29-18(22-11)12-2-4-13(20)5-3-12)14-6-7-16(25-24-14)28-10-15(26)23-19-21-8-9-27-19/h2-9H,10H2,1H3,(H,21,23,26)
InChIKeyDUEXCGMCLUQPRP-UHFFFAOYSA-N
XLogP4.90
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(3,5-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
N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562717
N-(3-chloro-4-methylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562785
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908
5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 8543475
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-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461184
N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916774

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 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) is 2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2nccs2)nn1.
What is the InChIKey of 2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DUEXCGMCLUQPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5OS3/c1-11-17(29-18(22-11)12-2-4-13(20)5-3-12)14-6-7-16(25-24-14)28-10-15(26)23-19-21-8-9-27-19/h2-9H,10H2,1H3,(H,21,23,26).
What are the key properties of 2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 443.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18562750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).