4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C11H9N5O2S — CID 80617607

IUPAC4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESNc1nnc(C(=O)N2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C11H9N5O2S/c12-11-15-14-9(19-11)10(18)16-5-8(17)13-6-3-1-2-4-7(6)16/h1-4H,5H2,(H2,12,15)(H,13,17)
InChIKeyFAFUKJKEFIGKIB-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.72
Rot. Bonds1

About 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 80617607) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID80617607
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESNc1nnc(C(=O)N2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C11H9N5O2S/c12-11-15-14-9(19-11)10(18)16-5-8(17)13-6-3-1-2-4-7(6)16/h1-4H,5H2,(H2,12,15)(H,13,17)
InChIKeyFAFUKJKEFIGKIB-UHFFFAOYSA-N
XLogP0.72
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 64524021
4-(6-aminopyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 62152009
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 66121842
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
CID 83031637
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 80617607) is 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one is Nc1nnc(C(=O)N2CC(=O)Nc3ccccc32)s1.
What is the InChIKey of 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is FAFUKJKEFIGKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c12-11-15-14-9(19-11)10(18)16-5-8(17)13-6-3-1-2-4-7(6)16/h1-4H,5H2,(H2,12,15)(H,13,17).
What are the key properties of 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 275.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 80617607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).