N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

C21H16F2N4O2S — CID 71840040

IUPACN-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccc(F)cc2F)c(=O)c2nc(-c3ccccc3)sc12
InChIInChI=1S/C21H16F2N4O2S/c1-12-19-18(25-20(30-19)13-5-3-2-4-6-13)21(29)27(26-12)11-17(28)24-10-14-7-8-15(22)9-16(14)23/h2-9H,10-11H2,1H3,(H,24,28)
InChIKeyUOTSRNASRGAOEZ-UHFFFAOYSA-N
MW426.45 g/mol
LogP3.42
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840040) has the molecular formula C21H16F2N4O2S and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840040
Molecular FormulaC21H16F2N4O2S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccc(F)cc2F)c(=O)c2nc(-c3ccccc3)sc12
InChIInChI=1S/C21H16F2N4O2S/c1-12-19-18(25-20(30-19)13-5-3-2-4-6-13)21(29)27(26-12)11-17(28)24-10-14-7-8-15(22)9-16(14)23/h2-9H,10-11H2,1H3,(H,24,28)
InChIKeyUOTSRNASRGAOEZ-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840040) is N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is Cc1nn(CC(=O)NCc2ccc(F)cc2F)c(=O)c2nc(-c3ccccc3)sc12.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is UOTSRNASRGAOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2S/c1-12-19-18(25-20(30-19)13-5-3-2-4-6-13)21(29)27(26-12)11-17(28)24-10-14-7-8-15(22)9-16(14)23/h2-9H,10-11H2,1H3,(H,24,28).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 426.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).