2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

C20H16N4O3S — CID 2087168

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1sc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)nc1-c1ccccc1
InChIInChI=1S/C20H16N4O3S/c1-12-17(13-7-3-2-4-8-13)22-20(28-12)21-16(25)11-24-19(27)15-10-6-5-9-14(15)18(26)23-24/h2-10H,11H2,1H3,(H,23,26)(H,21,22,25)
InChIKeyYDCIWBQGMNWGIG-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.76
Rot. Bonds4

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2087168) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2087168
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1sc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)nc1-c1ccccc1
InChIInChI=1S/C20H16N4O3S/c1-12-17(13-7-3-2-4-8-13)22-20(28-12)21-16(25)11-24-19(27)15-10-6-5-9-14(15)18(26)23-24/h2-10H,11H2,1H3,(H,23,26)(H,21,22,25)
InChIKeyYDCIWBQGMNWGIG-UHFFFAOYSA-N
XLogP2.76
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2087168) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1sc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)nc1-c1ccccc1.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YDCIWBQGMNWGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-12-17(13-7-3-2-4-8-13)22-20(28-12)21-16(25)11-24-19(27)15-10-6-5-9-14(15)18(26)23-24/h2-10H,11H2,1H3,(H,23,26)(H,21,22,25).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2087168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).