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

C17H19N5OS — CID 4884038

IUPAC2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3nc(CC)c(CC)nc3c2)s1
InChIInChI=1S/C17H19N5OS/c1-4-11-12(5-2)19-14-9-10(7-8-13(14)18-11)16(23)20-17-22-21-15(6-3)24-17/h7-9H,4-6H2,1-3H3,(H,20,22,23)
InChIKeyXYCXDDNPXGLJCB-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.42
Rot. Bonds5

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

2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 4884038) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID4884038
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3nc(CC)c(CC)nc3c2)s1
InChIInChI=1S/C17H19N5OS/c1-4-11-12(5-2)19-14-9-10(7-8-13(14)18-11)16(23)20-17-22-21-15(6-3)24-17/h7-9H,4-6H2,1-3H3,(H,20,22,23)
InChIKeyXYCXDDNPXGLJCB-UHFFFAOYSA-N
XLogP3.42
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.42
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
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-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamide
CID 2441420
2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2446271
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-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 2162917
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(pyridin-2-yl)quinoline-4-carboxamide
CID 2431594
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 16463066

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide (CID 4884038) is 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide is CCc1nnc(NC(=O)c2ccc3nc(CC)c(CC)nc3c2)s1.
What is the InChIKey of 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is XYCXDDNPXGLJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-4-11-12(5-2)19-14-9-10(7-8-13(14)18-11)16(23)20-17-22-21-15(6-3)24-17/h7-9H,4-6H2,1-3H3,(H,20,22,23).
What are the key properties of 2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.42, 5 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-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 4884038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).