N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C21H18N4O2S — CID 70782826

IUPACN-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nccs1)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H18N4O2S/c1-24(13-18-22-11-12-28-18)19(26)14-25-21(27)17-10-6-5-9-16(17)20(23-25)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChIKeySXGJCHRRBIFUGJ-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.18
Rot. Bonds5

About N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 70782826) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID70782826
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nccs1)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C21H18N4O2S/c1-24(13-18-22-11-12-28-18)19(26)14-25-21(27)17-10-6-5-9-16(17)20(23-25)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChIKeySXGJCHRRBIFUGJ-UHFFFAOYSA-N
XLogP3.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 70782826) is N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is CN(Cc1nccs1)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is SXGJCHRRBIFUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-24(13-18-22-11-12-28-18)19(26)14-25-21(27)17-10-6-5-9-16(17)20(23-25)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3.
What are the key properties of N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-oxo-4-phenylphthalazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 70782826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).