N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C19H16N4O2S — CID 78810816

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)NCCc1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c24-17(12-23-15-7-3-1-5-13(15)21-11-19(23)25)20-10-9-18-22-14-6-2-4-8-16(14)26-18/h1-8,11H,9-10,12H2,(H,20,24)
InChIKeyXXIAYDZZCDMPGZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 78810816) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID78810816
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)NCCc1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c24-17(12-23-15-7-3-1-5-13(15)21-11-19(23)25)20-10-9-18-22-14-6-2-4-8-16(14)26-18/h1-8,11H,9-10,12H2,(H,20,24)
InChIKeyXXIAYDZZCDMPGZ-UHFFFAOYSA-N
XLogP2.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26419188
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 38900942
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55456905
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 111115882
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 18084166
methyl 6-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]hexanoate
CID 31838969
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18087174
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 17437736

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 78810816) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is XXIAYDZZCDMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-17(12-23-15-7-3-1-5-13(15)21-11-19(23)25)20-10-9-18-22-14-6-2-4-8-16(14)26-18/h1-8,11H,9-10,12H2,(H,20,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 78810816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).