N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide

C13H12N6OS — CID 91786383

IUPACN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
SMILESCC(NC(=O)c1cnc2ccccc2n1)c1nnc(N)s1
InChIInChI=1S/C13H12N6OS/c1-7(12-18-19-13(14)21-12)16-11(20)10-6-15-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H2,14,19)(H,16,20)
InChIKeyQMDRLDJPNZXIIM-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.55
Rot. Bonds3

About N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide (PubChem CID 91786383) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
PubChem CID91786383
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
SMILESCC(NC(=O)c1cnc2ccccc2n1)c1nnc(N)s1
InChIInChI=1S/C13H12N6OS/c1-7(12-18-19-13(14)21-12)16-11(20)10-6-15-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H2,14,19)(H,16,20)
InChIKeyQMDRLDJPNZXIIM-UHFFFAOYSA-N
XLogP1.55
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
CID 91787907
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 96571087
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70705029
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
CID 107356567
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]quinoxaline-2-carboxamide
CID 46474012

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide (CID 91786383) is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide is CC(NC(=O)c1cnc2ccccc2n1)c1nnc(N)s1.
What is the InChIKey of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is QMDRLDJPNZXIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-7(12-18-19-13(14)21-12)16-11(20)10-6-15-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H2,14,19)(H,16,20).
What are the key properties of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide?
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 91786383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).