N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide

C24H23N5O3S — CID 134256493

IUPACN-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide
SMILESCNC(=O)CNC(=O)Cc1nn(Cc2nc(-c3ccc(C)cc3)cs2)c(=O)c2ccccc12
InChIInChI=1S/C24H23N5O3S/c1-15-7-9-16(10-8-15)20-14-33-23(27-20)13-29-24(32)18-6-4-3-5-17(18)19(28-29)11-21(30)26-12-22(31)25-2/h3-10,14H,11-13H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyDUAVJQCLIZIRPT-UHFFFAOYSA-N
MW461.55 g/mol
LogP2.28
Rot. Bonds7

About N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide

N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide (PubChem CID 134256493) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide
PubChem CID134256493
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide
SMILESCNC(=O)CNC(=O)Cc1nn(Cc2nc(-c3ccc(C)cc3)cs2)c(=O)c2ccccc12
InChIInChI=1S/C24H23N5O3S/c1-15-7-9-16(10-8-15)20-14-33-23(27-20)13-29-24(32)18-6-4-3-5-17(18)19(28-29)11-21(30)26-12-22(31)25-2/h3-10,14H,11-13H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyDUAVJQCLIZIRPT-UHFFFAOYSA-N
XLogP2.28
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetic acid
CID 75202260
N-(benzylideneamino)-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetamide
CID 2821789
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55841798
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 27845298
2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 24525079
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55663551
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
CID 51132977
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide (CID 134256493) is N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide is CNC(=O)CNC(=O)Cc1nn(Cc2nc(-c3ccc(C)cc3)cs2)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide?
The InChIKey is DUAVJQCLIZIRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-15-7-9-16(10-8-15)20-14-33-23(27-20)13-29-24(32)18-6-4-3-5-17(18)19(28-29)11-21(30)26-12-22(31)25-2/h3-10,14H,11-13H2,1-2H3,(H,25,31)(H,26,30).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide?
N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide has a molecular weight of 461.55 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide is sourced from PubChem (CID 134256493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).