N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide

C17H18N4OS — CID 24667862

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2cccc3cccnc23)s1
InChIInChI=1S/C17H18N4OS/c1-2-3-4-10-14-20-21-17(23-14)19-16(22)13-9-5-7-12-8-6-11-18-15(12)13/h5-9,11H,2-4,10H2,1H3,(H,19,21,22)
InChIKeySNFUACMWLMJDKF-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.07
Rot. Bonds6

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide (PubChem CID 24667862) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
PubChem CID24667862
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2cccc3cccnc23)s1
InChIInChI=1S/C17H18N4OS/c1-2-3-4-10-14-20-21-17(23-14)19-16(22)13-9-5-7-12-8-6-11-18-15(12)13/h5-9,11H,2-4,10H2,1H3,(H,19,21,22)
InChIKeySNFUACMWLMJDKF-UHFFFAOYSA-N
XLogP4.07
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)quinoxaline-5-carboxamide
CID 134698300
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-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide
CID 51320684
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CID 24648214
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289611
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide (CID 24667862) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide is CCCCCc1nnc(NC(=O)c2cccc3cccnc23)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide?
The InChIKey is SNFUACMWLMJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-3-4-10-14-20-21-17(23-14)19-16(22)13-9-5-7-12-8-6-11-18-15(12)13/h5-9,11H,2-4,10H2,1H3,(H,19,21,22).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 24667862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).