N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C18H20N4O2S — CID 56747492

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCc1nc(C)sc1CNC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C18H20N4O2S/c1-4-15-16(25-12(3)20-15)9-19-17(23)10-22-18(24)14-8-6-5-7-13(14)11(2)21-22/h5-8H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyNSZSSKCOCCHVNG-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 56747492) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID56747492
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCc1nc(C)sc1CNC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C18H20N4O2S/c1-4-15-16(25-12(3)20-15)9-19-17(23)10-22-18(24)14-8-6-5-7-13(14)11(2)21-22/h5-8H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyNSZSSKCOCCHVNG-UHFFFAOYSA-N
XLogP2.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide with MolForge

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55841798
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25491867
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 46558629

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 56747492) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CCc1nc(C)sc1CNC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is NSZSSKCOCCHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-4-15-16(25-12(3)20-15)9-19-17(23)10-22-18(24)14-8-6-5-7-13(14)11(2)21-22/h5-8H,4,9-10H2,1-3H3,(H,19,23).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 56747492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).