2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C16H17N5OS — CID 110451329

IUPAC2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2ccc3cccc(N)c3n2)s1
InChIInChI=1S/C16H17N5OS/c1-2-4-14-20-21-16(23-14)19-13(22)9-11-8-7-10-5-3-6-12(17)15(10)18-11/h3,5-8H,2,4,9,17H2,1H3,(H,19,21,22)
InChIKeyRJWIGPDSALWSBJ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.80
Rot. Bonds5

About 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 110451329) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID110451329
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2ccc3cccc(N)c3n2)s1
InChIInChI=1S/C16H17N5OS/c1-2-4-14-20-21-16(23-14)19-13(22)9-11-8-7-10-5-3-6-12(17)15(10)18-11/h3,5-8H,2,4,9,17H2,1H3,(H,19,21,22)
InChIKeyRJWIGPDSALWSBJ-UHFFFAOYSA-N
XLogP2.80
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(8-aminoquinolin-2-yl)-N-ethylacetamide
CID 82547485
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547498
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-quinolin-8-ylacetamide
CID 51320684
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 26197141
2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110451248
3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 120607869
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
2-[4-(difluoromethoxy)phenyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34110542

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 110451329) is 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cc2ccc3cccc(N)c3n2)s1.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RJWIGPDSALWSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-4-14-20-21-16(23-14)19-13(22)9-11-8-7-10-5-3-6-12(17)15(10)18-11/h3,5-8H,2,4,9,17H2,1H3,(H,19,21,22).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 110451329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).