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

C21H18N4O2S — CID 55841798

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2nc(-c3ccccc3)cs2)c(=O)c2ccccc12
InChIInChI=1S/C21H18N4O2S/c1-14-16-9-5-6-10-17(16)21(27)25(24-14)12-19(26)22-11-20-23-18(13-28-20)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyLFPKMZOZSMHFHN-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.14
Rot. Bonds5

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

2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 55841798) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID55841798
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2nc(-c3ccccc3)cs2)c(=O)c2ccccc12
InChIInChI=1S/C21H18N4O2S/c1-14-16-9-5-6-10-17(16)21(27)25(24-14)12-19(26)22-11-20-23-18(13-28-20)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyLFPKMZOZSMHFHN-UHFFFAOYSA-N
XLogP3.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide (CID 55841798) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1nn(CC(=O)NCc2nc(-c3ccccc3)cs2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is LFPKMZOZSMHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14-16-9-5-6-10-17(16)21(27)25(24-14)12-19(26)22-11-20-23-18(13-28-20)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,26).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 55841798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).