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

C16H16N4OS — CID 26197186

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2ccc3ccccc3n2)s1
InChIInChI=1S/C16H16N4OS/c1-2-3-8-14-19-20-16(22-14)18-15(21)13-10-9-11-6-4-5-7-12(11)17-13/h4-7,9-10H,2-3,8H2,1H3,(H,18,20,21)
InChIKeyXQZCZZJXHRYJTE-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.68
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (PubChem CID 26197186) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
PubChem CID26197186
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2ccc3ccccc3n2)s1
InChIInChI=1S/C16H16N4OS/c1-2-3-8-14-19-20-16(22-14)18-15(21)13-10-9-11-6-4-5-7-12(11)17-13/h4-7,9-10H,2-3,8H2,1H3,(H,18,20,21)
InChIKeyXQZCZZJXHRYJTE-UHFFFAOYSA-N
XLogP3.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
CID 46589806
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 26197141
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 17402298
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
N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 17399707
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24648115
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide (CID 26197186) is N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is CCCCc1nnc(NC(=O)c2ccc3ccccc3n2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is XQZCZZJXHRYJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-3-8-14-19-20-16(22-14)18-15(21)13-10-9-11-6-4-5-7-12(11)17-13/h4-7,9-10H,2-3,8H2,1H3,(H,18,20,21).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 26197186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).