2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C14H12N4OS — CID 82547221

IUPAC2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESNc1ccc2nc(CC(=O)Nc3nccs3)ccc2c1
InChIInChI=1S/C14H12N4OS/c15-10-2-4-12-9(7-10)1-3-11(17-12)8-13(19)18-14-16-5-6-20-14/h1-7H,8,15H2,(H,16,18,19)
InChIKeyWCTJRLPABBBYHF-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.45
Rot. Bonds3

About 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 82547221) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID82547221
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESNc1ccc2nc(CC(=O)Nc3nccs3)ccc2c1
InChIInChI=1S/C14H12N4OS/c15-10-2-4-12-9(7-10)1-3-11(17-12)8-13(19)18-14-16-5-6-20-14/h1-7H,8,15H2,(H,16,18,19)
InChIKeyWCTJRLPABBBYHF-UHFFFAOYSA-N
XLogP2.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
CID 82547405
2-(6-aminoquinolin-2-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 110451337
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
N-(4-amino-2-chlorophenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108515980
2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 43302977
2-(6-aminoquinolin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 82547092
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16879227

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 82547221) is 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide is Nc1ccc2nc(CC(=O)Nc3nccs3)ccc2c1.
What is the InChIKey of 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WCTJRLPABBBYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-10-2-4-12-9(7-10)1-3-11(17-12)8-13(19)18-14-16-5-6-20-14/h1-7H,8,15H2,(H,16,18,19).
What are the key properties of 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 82547221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).