N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide

C20H16N4O2S — CID 9194190

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)/N=c2\sccn2Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H16N4O2S/c1-23-19(26)16-10-6-5-9-15(16)17(22-23)18(25)21-20-24(11-12-27-20)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3/b21-20-
InChIKeyANJXGKLYWLCUFI-MRCUWXFGSA-N
MW376.44 g/mol
LogP2.59
Rot. Bonds3

About N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 9194190) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID9194190
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)/N=c2\sccn2Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H16N4O2S/c1-23-19(26)16-10-6-5-9-15(16)17(22-23)18(25)21-20-24(11-12-27-20)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3/b21-20-
InChIKeyANJXGKLYWLCUFI-MRCUWXFGSA-N
XLogP2.59
TPSA69.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-oxo-3H-phthalazine-1-carboxamide
CID 24653558
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyltriazole-4-carboxamide
CID 18275464
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18293281
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18269929
2-(2-amino-2-oxoethoxy)-N-(3-benzyl-1,3-thiazol-2-ylidene)benzamide
CID 24524444
N-(3-benzyl-1,3-thiazol-2-ylidene)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 38486353
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18285459
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24607678
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
(2R)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32621990
(2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32621992

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide (CID 9194190) is N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)/N=c2\sccn2Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is ANJXGKLYWLCUFI-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-23-19(26)16-10-6-5-9-15(16)17(22-23)18(25)21-20-24(11-12-27-20)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3/b21-20-.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9194190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).