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

C19H23N5OS — CID 46589806

IUPACN-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
SMILESCCCCCCCCc1nnc(NC(=O)c2cnc3ccccc3n2)s1
InChIInChI=1S/C19H23N5OS/c1-2-3-4-5-6-7-12-17-23-24-19(26-17)22-18(25)16-13-20-14-10-8-9-11-15(14)21-16/h8-11,13H,2-7,12H2,1H3,(H,22,24,25)
InChIKeyRVTRNTMJDZECDB-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.64
Rot. Bonds9

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

N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide (PubChem CID 46589806) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
PubChem CID46589806
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
SMILESCCCCCCCCc1nnc(NC(=O)c2cnc3ccccc3n2)s1
InChIInChI=1S/C19H23N5OS/c1-2-3-4-5-6-7-12-17-23-24-19(26-17)22-18(25)16-13-20-14-10-8-9-11-15(14)21-16/h8-11,13H,2-7,12H2,1H3,(H,22,24,25)
InChIKeyRVTRNTMJDZECDB-UHFFFAOYSA-N
XLogP4.64
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.64
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-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
CID 134698300
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188
N-(5-octyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166191053
3,4,5-triethoxy-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3749207

Frequently Asked Questions

What is the IUPAC name of N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide (CID 46589806) is N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide is CCCCCCCCc1nnc(NC(=O)c2cnc3ccccc3n2)s1.
What is the InChIKey of N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide?
The InChIKey is RVTRNTMJDZECDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-2-3-4-5-6-7-12-17-23-24-19(26-17)22-18(25)16-13-20-14-10-8-9-11-15(14)21-16/h8-11,13H,2-7,12H2,1H3,(H,22,24,25).
What are the key properties of N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide?
N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 46589806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).