N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide

C16H17N5OS — CID 134698300

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2cccc3nccnc23)s1
InChIInChI=1S/C16H17N5OS/c1-2-3-4-8-13-20-21-16(23-13)19-15(22)11-6-5-7-12-14(11)18-10-9-17-12/h5-7,9-10H,2-4,8H2,1H3,(H,19,21,22)
InChIKeySDWHIYOQMRKTPG-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.47
Rot. Bonds6

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide (PubChem CID 134698300) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
PubChem CID134698300
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2cccc3nccnc23)s1
InChIInChI=1S/C16H17N5OS/c1-2-3-4-8-13-20-21-16(23-13)19-15(22)11-6-5-7-12-14(11)18-10-9-17-12/h5-7,9-10H,2-4,8H2,1H3,(H,19,21,22)
InChIKeySDWHIYOQMRKTPG-UHFFFAOYSA-N
XLogP3.47
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide
CID 134703656
2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60553366
2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60567241
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
CID 46589806
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CID 24648214
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide (CID 134698300) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide is CCCCCc1nnc(NC(=O)c2cccc3nccnc23)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide?
The InChIKey is SDWHIYOQMRKTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-3-4-8-13-20-21-16(23-13)19-15(22)11-6-5-7-12-14(11)18-10-9-17-12/h5-7,9-10H,2-4,8H2,1H3,(H,19,21,22).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 134698300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).