N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide

C18H13FN4OS3 — CID 16858233

IUPACN-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
SMILESCc1nc2c(SCC(=O)Nc3ccc(F)cc3)nnc(-c3cccs3)c2s1
InChIInChI=1S/C18H13FN4OS3/c1-10-20-16-17(27-10)15(13-3-2-8-25-13)22-23-18(16)26-9-14(24)21-12-6-4-11(19)5-7-12/h2-8H,9H2,1H3,(H,21,24)
InChIKeyIWWGIDILGQTDDY-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.99
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide

N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide (PubChem CID 16858233) has the molecular formula C18H13FN4OS3 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
PubChem CID16858233
Molecular FormulaC18H13FN4OS3
Molecular Weight416.53 g/mol
Exact Mass416.02
IUPAC NameN-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
SMILESCc1nc2c(SCC(=O)Nc3ccc(F)cc3)nnc(-c3cccs3)c2s1
InChIInChI=1S/C18H13FN4OS3/c1-10-20-16-17(27-10)15(13-3-2-8-25-13)22-23-18(16)26-9-14(24)21-12-6-4-11(19)5-7-12/h2-8H,9H2,1H3,(H,21,24)
InChIKeyIWWGIDILGQTDDY-UHFFFAOYSA-N
XLogP4.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-difluorophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7207545
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-fluorophenyl)acetamide
CID 7207548
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-fluorophenyl)acetamide
CID 7222599
N-(3,4-difluorophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7222624
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-phenylacetamide
CID 18562615
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 7222601
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(5-methyl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 67351039
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2527452
N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858098
N-(3-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858099
N-(4-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858100
N-(2,4-difluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858103

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide (CID 16858233) is N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide is Cc1nc2c(SCC(=O)Nc3ccc(F)cc3)nnc(-c3cccs3)c2s1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The InChIKey is IWWGIDILGQTDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS3/c1-10-20-16-17(27-10)15(13-3-2-8-25-13)22-23-18(16)26-9-14(24)21-12-6-4-11(19)5-7-12/h2-8H,9H2,1H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 16858233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).