2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C19H15N5O2S — CID 35569050

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nnc(-c3ccccc3)s2)c(=O)c2ccccc12
InChIInChI=1S/C19H15N5O2S/c1-12-14-9-5-6-10-15(14)18(26)24(23-12)11-16(25)20-19-22-21-17(27-19)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,22,25)
InChIKeyYMCDTTHUQFYFAK-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.86
Rot. Bonds4

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 35569050) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID35569050
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nnc(-c3ccccc3)s2)c(=O)c2ccccc12
InChIInChI=1S/C19H15N5O2S/c1-12-14-9-5-6-10-15(14)18(26)24(23-12)11-16(25)20-19-22-21-17(27-19)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,22,25)
InChIKeyYMCDTTHUQFYFAK-UHFFFAOYSA-N
XLogP2.86
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 25493110
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25491867
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208461
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16846156
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
4-oxo-3-pentyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide
CID 60592484
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 35569050) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nn(CC(=O)Nc2nnc(-c3ccccc3)s2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YMCDTTHUQFYFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-12-14-9-5-6-10-15(14)18(26)24(23-12)11-16(25)20-19-22-21-17(27-19)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,22,25).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 377.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 35569050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).