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

C12H10N4O2S — CID 45497118

IUPAC4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1nnsc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H10N4O2S/c1-7-11(19-15-14-7)12(18)16-6-10(17)13-8-4-2-3-5-9(8)16/h2-5H,6H2,1H3,(H,13,17)
InChIKeyIPNMTFAUHXMOGV-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.45
Rot. Bonds1

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

4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 45497118) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID45497118
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1nnsc1C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H10N4O2S/c1-7-11(19-15-14-7)12(18)16-6-10(17)13-8-4-2-3-5-9(8)16/h2-5H,6H2,1H3,(H,13,17)
InChIKeyIPNMTFAUHXMOGV-UHFFFAOYSA-N
XLogP1.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 45497118) is 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is Cc1nnsc1C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is IPNMTFAUHXMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-7-11(19-15-14-7)12(18)16-6-10(17)13-8-4-2-3-5-9(8)16/h2-5H,6H2,1H3,(H,13,17).
What are the key properties of 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 274.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylthiadiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 45497118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).