3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide

C13H10N4O2S — CID 15828725

IUPAC3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide
SMILESCC(=O)Nc1c(C(N)=O)sc2nc3ccccc3nc12
InChIInChI=1S/C13H10N4O2S/c1-6(18)15-9-10-13(20-11(9)12(14)19)17-8-5-3-2-4-7(8)16-10/h2-5H,1H3,(H2,14,19)(H,15,18)
InChIKeyLMVHWKNUMUYSDS-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.90
Rot. Bonds2

About 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide

3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide (PubChem CID 15828725) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide
PubChem CID15828725
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide
SMILESCC(=O)Nc1c(C(N)=O)sc2nc3ccccc3nc12
InChIInChI=1S/C13H10N4O2S/c1-6(18)15-9-10-13(20-11(9)12(14)19)17-8-5-3-2-4-7(8)16-10/h2-5H,1H3,(H2,14,19)(H,15,18)
InChIKeyLMVHWKNUMUYSDS-UHFFFAOYSA-N
XLogP1.90
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65625912
7-amino-N-(2-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65627311
7-amino-N-(3,4-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65627920
7-amino-N-(2,5-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628114
7-amino-N-(3-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628326
7-amino-N-(4-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628935
7-amino-N-(3,5-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628941
7-amino-N-(2,6-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65628989
7-amino-N-(4-fluorophenyl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 65640951
7-amino-N-(2-fluorophenyl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 65641531
7-amino-N-(3-fluorophenyl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 65641533
7-amino-N-(2,3-difluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65641648

Frequently Asked Questions

What is the IUPAC name of 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide?
The IUPAC name of 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide (CID 15828725) is 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide?
The canonical SMILES for 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide is CC(=O)Nc1c(C(N)=O)sc2nc3ccccc3nc12.
What is the InChIKey of 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide?
The InChIKey is LMVHWKNUMUYSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-6(18)15-9-10-13(20-11(9)12(14)19)17-8-5-3-2-4-7(8)16-10/h2-5H,1H3,(H2,14,19)(H,15,18).
What are the key properties of 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide?
3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidothieno[3,2-b]quinoxaline-2-carboxamide is sourced from PubChem (CID 15828725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).