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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Related Compounds

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 29000911
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide
CID 71690200
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 56747492
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 35569050
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 112841601
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026

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).