2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide

C16H17N5OS — CID 2446271

IUPAC2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3nnc(C)s3)cc2nc1CC
InChIInChI=1S/C16H17N5OS/c1-4-11-12(5-2)18-14-8-10(6-7-13(14)17-11)15(22)19-16-21-20-9(3)23-16/h6-8H,4-5H2,1-3H3,(H,19,21,22)
InChIKeyVDDKACGNDBYSNH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.17
Rot. Bonds4

About 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide

2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 2446271) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID2446271
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3nnc(C)s3)cc2nc1CC
InChIInChI=1S/C16H17N5OS/c1-4-11-12(5-2)18-14-8-10(6-7-13(14)17-11)15(22)19-16-21-20-9(3)23-16/h6-8H,4-5H2,1-3H3,(H,19,21,22)
InChIKeyVDDKACGNDBYSNH-UHFFFAOYSA-N
XLogP3.17
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 4379471
2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 4884038
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 1186276
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 2091388
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamide
CID 2121796
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamide
CID 2441420
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
CID 2914673
N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
CID 4615861
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2083477
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2125800
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 2162917

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide (CID 2446271) is 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)Nc3nnc(C)s3)cc2nc1CC.
What is the InChIKey of 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is VDDKACGNDBYSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-4-11-12(5-2)18-14-8-10(6-7-13(14)17-11)15(22)19-16-21-20-9(3)23-16/h6-8H,4-5H2,1-3H3,(H,19,21,22).
What are the key properties of 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2446271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).