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

C18H18F2N4O2S — CID 71840096

IUPACN-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NCc2cc(F)ccc2F)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C18H18F2N4O2S/c1-9(2)17-22-15-16(27-17)10(3)23-24(18(15)26)8-14(25)21-7-11-6-12(19)4-5-13(11)20/h4-6,9H,7-8H2,1-3H3,(H,21,25)
InChIKeyXNUGVDRIVIOWIG-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.88
Rot. Bonds5

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

N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840096) has the molecular formula C18H18F2N4O2S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840096
Molecular FormulaC18H18F2N4O2S
Molecular Weight392.43 g/mol
Exact Mass392.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NCc2cc(F)ccc2F)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C18H18F2N4O2S/c1-9(2)17-22-15-16(27-17)10(3)23-24(18(15)26)8-14(25)21-7-11-6-12(19)4-5-13(11)20/h4-6,9H,7-8H2,1-3H3,(H,21,25)
InChIKeyXNUGVDRIVIOWIG-UHFFFAOYSA-N
XLogP2.88
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840096) is N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is Cc1nn(CC(=O)NCc2cc(F)ccc2F)c(=O)c2nc(C(C)C)sc12.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is XNUGVDRIVIOWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S/c1-9(2)17-22-15-16(27-17)10(3)23-24(18(15)26)8-14(25)21-7-11-6-12(19)4-5-13(11)20/h4-6,9H,7-8H2,1-3H3,(H,21,25).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).