N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide

C17H18N4OS — CID 51320684

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide
SMILESCCCCc1nnc(NC(=O)Cc2cccc3cccnc23)s1
InChIInChI=1S/C17H18N4OS/c1-2-3-9-15-20-21-17(23-15)19-14(22)11-13-7-4-6-12-8-5-10-18-16(12)13/h4-8,10H,2-3,9,11H2,1H3,(H,19,21,22)
InChIKeyYDYSBDWCWWZVIN-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.61
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide (PubChem CID 51320684) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide
PubChem CID51320684
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide
SMILESCCCCc1nnc(NC(=O)Cc2cccc3cccnc23)s1
InChIInChI=1S/C17H18N4OS/c1-2-3-9-15-20-21-17(23-15)19-14(22)11-13-7-4-6-12-8-5-10-18-16(12)13/h4-8,10H,2-3,9,11H2,1H3,(H,19,21,22)
InChIKeyYDYSBDWCWWZVIN-UHFFFAOYSA-N
XLogP3.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 26197141
2-isoquinolin-5-yl-N-[5-[4-[5-[(2-isoquinolin-5-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 91896713
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide
CID 51307025
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 110451329
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
2-naphthalen-1-yl-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 55540384
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
CID 134698300

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide (CID 51320684) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide is CCCCc1nnc(NC(=O)Cc2cccc3cccnc23)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide?
The InChIKey is YDYSBDWCWWZVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-3-9-15-20-21-17(23-15)19-14(22)11-13-7-4-6-12-8-5-10-18-16(12)13/h4-8,10H,2-3,9,11H2,1H3,(H,19,21,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide has a molecular weight of 326.43 g/mol, XLogP of 3.61, 6 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)-2-quinolin-8-ylacetamide is sourced from PubChem (CID 51320684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).