N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C20H16N4O2S — CID 9114221

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C20H16N4O2S/c25-18(11-17-15-8-4-5-9-16(15)19(26)24-23-17)22-20-21-12-14(27-20)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,24,26)(H,21,22,25)
InChIKeyOTZYFBZJJRDXAN-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.15
Rot. Bonds5

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 9114221) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID9114221
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C20H16N4O2S/c25-18(11-17-15-8-4-5-9-16(15)19(26)24-23-17)22-20-21-12-14(27-20)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,24,26)(H,21,22,25)
InChIKeyOTZYFBZJJRDXAN-UHFFFAOYSA-N
XLogP3.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24586365
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-nitrophenyl)acetamide
CID 37035145
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901256
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 9114221) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is OTZYFBZJJRDXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-18(11-17-15-8-4-5-9-16(15)19(26)24-23-17)22-20-21-12-14(27-20)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,24,26)(H,21,22,25).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 376.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 9114221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).