N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide

C13H9N5O3S — CID 10380971

IUPACN-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide
SMILESO=CNNC(=O)c1sc2nc3ccccc3nc2c1NC=O
InChIInChI=1S/C13H9N5O3S/c19-5-14-9-10-13(22-11(9)12(21)18-15-6-20)17-8-4-2-1-3-7(8)16-10/h1-6H,(H,14,19)(H,15,20)(H,18,21)
InChIKeyPEAODLGIGXDMIK-UHFFFAOYSA-N
MW315.31 g/mol
LogP0.80
Rot. Bonds5

About N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide

N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide (PubChem CID 10380971) has the molecular formula C13H9N5O3S and a molecular weight of 315.31 g/mol. Its IUPAC name is N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide.

Molecular Properties

Compound NameN-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide
PubChem CID10380971
Molecular FormulaC13H9N5O3S
Molecular Weight315.31 g/mol
Exact Mass315.04
IUPAC NameN-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide
SMILESO=CNNC(=O)c1sc2nc3ccccc3nc2c1NC=O
InChIInChI=1S/C13H9N5O3S/c19-5-14-9-10-13(22-11(9)12(21)18-15-6-20)17-8-4-2-1-3-7(8)16-10/h1-6H,(H,14,19)(H,15,20)(H,18,21)
InChIKeyPEAODLGIGXDMIK-UHFFFAOYSA-N
XLogP0.80
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-Aminothieno[3,2-b]quinoxaline-2-carbohydrazide
CID 10106611
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
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
2-[(15-Oxo-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-13-yl)sulfanyl]acetamide
CID 15319425
14-Phenyl-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16)-hexaene-13,15-dione
CID 15319429

Frequently Asked Questions

What is the IUPAC name of N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide?
The IUPAC name of N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide (CID 10380971) is N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide.
What is the SMILES notation for N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide?
The canonical SMILES for N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide is O=CNNC(=O)c1sc2nc3ccccc3nc2c1NC=O.
What is the InChIKey of N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide?
The InChIKey is PEAODLGIGXDMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3S/c19-5-14-9-10-13(22-11(9)12(21)18-15-6-20)17-8-4-2-1-3-7(8)16-10/h1-6H,(H,14,19)(H,15,20)(H,18,21).
What are the key properties of N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide?
N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide has a molecular weight of 315.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide is sourced from PubChem (CID 10380971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).