N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C21H18N4O2S — CID 7901256

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCCc1ccc(-c2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-2-13-7-9-14(10-8-13)18-12-28-21(22-18)23-19(26)11-17-15-5-3-4-6-16(15)20(27)25-24-17/h3-10,12H,2,11H2,1H3,(H,25,27)(H,22,23,26)
InChIKeyFUQPLFBCYCSUFB-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.79
Rot. Bonds5

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 7901256) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID7901256
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCCc1ccc(-c2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-2-13-7-9-14(10-8-13)18-12-28-21(22-18)23-19(26)11-17-15-5-3-4-6-16(15)20(27)25-24-17/h3-10,12H,2,11H2,1H3,(H,25,27)(H,22,23,26)
InChIKeyFUQPLFBCYCSUFB-UHFFFAOYSA-N
XLogP3.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4782858
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 91436488
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7918142
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621598
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41107572
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 7901256) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CCc1ccc(-c2csc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is FUQPLFBCYCSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-2-13-7-9-14(10-8-13)18-12-28-21(22-18)23-19(26)11-17-15-5-3-4-6-16(15)20(27)25-24-17/h3-10,12H,2,11H2,1H3,(H,25,27)(H,22,23,26).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 7901256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).