N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

C23H24N4O2S — CID 24575834

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C23H24N4O2S/c28-20(12-27-18-4-2-1-3-17(18)24-11-21(27)29)26-22-25-19(13-30-22)23-8-14-5-15(9-23)7-16(6-14)10-23/h1-4,11,13-16H,5-10,12H2,(H,25,26,28)
InChIKeyXPJZFUMXHDIYCY-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.96
Rot. Bonds4

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 24575834) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID24575834
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C23H24N4O2S/c28-20(12-27-18-4-2-1-3-17(18)24-11-21(27)29)26-22-25-19(13-30-22)23-8-14-5-15(9-23)7-16(6-14)10-23/h1-4,11,13-16H,5-10,12H2,(H,25,26,28)
InChIKeyXPJZFUMXHDIYCY-UHFFFAOYSA-N
XLogP3.96
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 32623205
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-[4-[(5S,7S)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 98161330
2-(2-oxoquinoxalin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991608
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide
CID 42597776
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 18084166
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 24575826
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24575832
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoylamino]methyl-triphenylphosphanium
CID 4205633

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 24575834) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is XPJZFUMXHDIYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c28-20(12-27-18-4-2-1-3-17(18)24-11-21(27)29)26-22-25-19(13-30-22)23-8-14-5-15(9-23)7-16(6-14)10-23/h1-4,11,13-16H,5-10,12H2,(H,25,26,28).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 24575834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).