3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide

C11H9N5OS — CID 10106611

IUPAC3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide
SMILESNNC(=O)c1sc2nc3ccccc3nc2c1N
InChIInChI=1S/C11H9N5OS/c12-7-8-11(18-9(7)10(17)16-13)15-6-4-2-1-3-5(6)14-8/h1-4H,12-13H2,(H,16,17)
InChIKeyHOZIKOFEXCBTSO-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.03
Rot. Bonds1

About 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide

3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide (PubChem CID 10106611) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide.

Molecular Properties

Compound Name3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide
PubChem CID10106611
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide
SMILESNNC(=O)c1sc2nc3ccccc3nc2c1N
InChIInChI=1S/C11H9N5OS/c12-7-8-11(18-9(7)10(17)16-13)15-6-4-2-1-3-5(6)14-8/h1-4H,12-13H2,(H,16,17)
InChIKeyHOZIKOFEXCBTSO-UHFFFAOYSA-N
XLogP1.03
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-allyl-2-aminothieno[2,3-b]quinoxaline-3-carboxamide
CID 2388413
2-methylpyrimido[4',5':4,5]thieno[2,3-b]quinoxalin-4(3H)-one
CID 135511851
3-Aminothieno[2,3-b]quinoxaline-2-carboxamide
CID 15828723
17-Thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 135417215
17-Thia-2,9,12,13,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 147492909
3-Aminothieno[3,2-b]quinoxaline-2-carboxamide;17-thia-2,9,12,13,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 157502732
3-amino-N-[(E)-(4-nitrophenyl)methylideneamino]thieno[3,2-b]quinoxaline-2-carboxamide
CID 10091898
N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide
CID 10248383
N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide
CID 10380971
3-Amino-4-methylthieno[2,3-b]quinoline-2-carbohydrazide
CID 10730896
14-Phenyl-13-sulfanylidene-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-15-one
CID 15319417
13-Hydrazinyl-14-phenyl-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 15319418

Frequently Asked Questions

What is the IUPAC name of 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide?
The IUPAC name of 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide (CID 10106611) is 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide.
What is the SMILES notation for 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide?
The canonical SMILES for 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide is NNC(=O)c1sc2nc3ccccc3nc2c1N.
What is the InChIKey of 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide?
The InChIKey is HOZIKOFEXCBTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c12-7-8-11(18-9(7)10(17)16-13)15-6-4-2-1-3-5(6)14-8/h1-4H,12-13H2,(H,16,17).
What are the key properties of 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide?
3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide has a molecular weight of 259.29 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothieno[3,2-b]quinoxaline-2-carbohydrazide is sourced from PubChem (CID 10106611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).