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

C22H20N4O3S — CID 71840041

IUPACN-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)cc1
InChIInChI=1S/C22H20N4O3S/c1-14-20-19(24-21(30-20)16-6-4-3-5-7-16)22(28)26(25-14)13-18(27)23-12-15-8-10-17(29-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyUTRMAWJTEQMRAM-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.15
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840041) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840041
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)cc1
InChIInChI=1S/C22H20N4O3S/c1-14-20-19(24-21(30-20)16-6-4-3-5-7-16)22(28)26(25-14)13-18(27)23-12-15-8-10-17(29-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyUTRMAWJTEQMRAM-UHFFFAOYSA-N
XLogP3.15
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

FR-122047
CID 196841
1-((4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
CID 196840
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 10253234
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
4,5-Bis(4-methoxyphenyl)-2-(3-isopropylureidomethyl)thiazole
CID 10431761
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840041) is N-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is COc1ccc(CNC(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is UTRMAWJTEQMRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-20-19(24-21(30-20)16-6-4-3-5-7-16)22(28)26(25-14)13-18(27)23-12-15-8-10-17(29-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).